AI30251
1330765-12-2 | Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
Manufacturer: A2B Chem
CAS Number: 1330765-12-2
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Catalog Number
AI30251
Chemical Name
Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
Cas Number
1330765-12-2
Molecular Formula
C13H18F3N3O5S
Molecular Weight
385.3593
Mdl Number
MFCD20231201
Smiles
O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Complexity
600
Covalently-Bonded Unit Count
1
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
9
Hydrogen Bond Donor Count
1
Rotatable Bond Count
4
Xlogp3
2.4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate | ChemScene | ₹ 1,44,510.84 |
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Catalog Number: AI30251
Chemical Name: Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
Cas Number: 1330765-12-2
Molecular Formula: C13H18F3N3O5S
Molecular Weight: 385.3593
Mdl Number: MFCD20231201
Smiles: O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Complexity: 600
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 25
Hydrogen Bond Acceptor Count: 9
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 4
Xlogp3: 2.4
Catalog Number:
AI30251
Chemical Name:
Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
Cas Number:
1330765-12-2
Molecular Formula:
C13H18F3N3O5S
Molecular Weight:
385.3593
Mdl Number:
MFCD20231201
Smiles:
O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Complexity:
600
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
4
Xlogp3:
2.4
Catalog Number: AI30252
Chemical Name: 5-Amino-2-Boc-2-azaspiro[3.3]heptane
Cas Number: 1330765-13-3
Molecular Formula: C11H20N2O2
Molecular Weight: 212.2887
Mdl Number: MFCD18910991
Smiles: NC1CCC21CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI30252
Chemical Name:
5-Amino-2-Boc-2-azaspiro[3.3]heptane
Cas Number:
1330765-13-3
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
Mdl Number:
MFCD18910991
Smiles:
NC1CCC21CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AI30253
Chemical Name: 6-Bromo-3-(thiazol-2-yl)benzo[d]isoxazole
Cas Number: 1330765-23-5
Molecular Formula: C10H5BrN2OS
Molecular Weight: 281.1285
Mdl Number: MFCD20231220
Smiles: Brc1ccc2c(c1)onc2c1nccs1
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI30253
Chemical Name:
6-Bromo-3-(thiazol-2-yl)benzo[d]isoxazole
Cas Number:
1330765-23-5
Molecular Formula:
C10H5BrN2OS
Molecular Weight:
281.1285
Mdl Number:
MFCD20231220
Smiles:
Brc1ccc2c(c1)onc2c1nccs1
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AI30254
Chemical Name: tert-Butyl 7-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Cas Number: 1330765-27-9
Molecular Formula: C12H22N2O3
Molecular Weight: 242.3147
Mdl Number: MFCD20230642
Smiles: NCC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI30254
Chemical Name:
tert-Butyl 7-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Cas Number:
1330765-27-9
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
Mdl Number:
MFCD20230642
Smiles:
NCC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__