AI16188
1250995-87-9 | RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
Manufacturer: A2B Chem
CAS Number: 1250995-87-9
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Catalog Number
AI16188
Chemical Name
RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
Cas Number
1250995-87-9
Molecular Formula
C12H20N2O5S
Molecular Weight
304.3626
Mdl Number
MFCD28390413
Smiles
O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C
Complexity
535
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
3
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Rotatable Bond Count
2
Xlogp3
-0.2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | (3aS,7R,8aS)-tert-Butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide | ChemScene | ₹ 1,44,425.28 |
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Catalog Number: AI16188
Chemical Name: RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
Cas Number: 1250995-87-9
Molecular Formula: C12H20N2O5S
Molecular Weight: 304.3626
Mdl Number: MFCD28390413
Smiles: O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C
Complexity: 535
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 3
Heavy Atom Count: 20
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 2
Xlogp3: -0.2
Catalog Number:
AI16188
Chemical Name:
RAcemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
Cas Number:
1250995-87-9
Molecular Formula:
C12H20N2O5S
Molecular Weight:
304.3626
Mdl Number:
MFCD28390413
Smiles:
O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C
Complexity:
535
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
2
Xlogp3:
-0.2
Catalog Number: AI16189
Chemical Name: 8-(Benzyloxycarbonyl)-1-(Tert-Butoxycarbonyl)-1,8-Diazaspiro[4.5]Decane-2-Carboxylic Acid
Cas Number: 1250996-12-3
Molecular Formula: C22H30N2O6
Molecular Weight: 418.4834
Mdl Number: MFCD12198561
Smiles: O=C(N1CCC2(CC1)CCC(N2C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity: __
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI16189
Chemical Name:
8-(Benzyloxycarbonyl)-1-(Tert-Butoxycarbonyl)-1,8-Diazaspiro[4.5]Decane-2-Carboxylic Acid
Cas Number:
1250996-12-3
Molecular Formula:
C22H30N2O6
Molecular Weight:
418.4834
Mdl Number:
MFCD12198561
Smiles:
O=C(N1CCC2(CC1)CCC(N2C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity:
__
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AI16190
Chemical Name: tert-butyl (6aS,9aR)-2-methylsulfanyl-6,6-dioxo-6a,7,9,9a-tetrahydro-5H-pyrrolo[4,5]thiopyrano[1,2-d]pyrimidine-8-carboxylate
Cas Number: 1250996-49-6
Molecular Formula: C15H21N3O4S2
Molecular Weight: 371.4749
Mdl Number: MFCD18791974
Smiles: CSc1ncc2c(n1)[C@H]1CN(C[C@H]1S(=O)(=O)C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI16190
Chemical Name:
tert-butyl (6aS,9aR)-2-methylsulfanyl-6,6-dioxo-6a,7,9,9a-tetrahydro-5H-pyrrolo[4,5]thiopyrano[1,2-d]pyrimidine-8-carboxylate
Cas Number:
1250996-49-6
Molecular Formula:
C15H21N3O4S2
Molecular Weight:
371.4749
Mdl Number:
MFCD18791974
Smiles:
CSc1ncc2c(n1)[C@H]1CN(C[C@H]1S(=O)(=O)C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AI16191
Chemical Name: 1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[2,1-C][1,2,4]Triazole]-6-Carboxylic Acid
Cas Number: 1250996-85-0
Molecular Formula: C15H22N4O4
Molecular Weight: 322.3596
Mdl Number: MFCD18792500
Smiles: O=C(N1CCC2(CC1)C(Cn1c2nnc1)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI16191
Chemical Name:
1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[2,1-C][1,2,4]Triazole]-6-Carboxylic Acid
Cas Number:
1250996-85-0
Molecular Formula:
C15H22N4O4
Molecular Weight:
322.3596
Mdl Number:
MFCD18792500
Smiles:
O=C(N1CCC2(CC1)C(Cn1c2nnc1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__