AE79639
1251004-30-4 | Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
Manufacturer: A2B Chem
CAS Number: 1251004-30-4
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Catalog Number
AE79639
Chemical Name
Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
Cas Number
1251004-30-4
Molecular Formula
C21H31N3O4
Molecular Weight
389.4885
Mdl Number
MFCD14581300
Smiles
O=C(N1CC[C@H]2[C@H](CC1)N(CCN2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity
542
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Heavy Atom Count
28
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Rotatable Bond Count
5
Xlogp3
2.5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate | ChemScene | ₹ 1,21,324.08 |
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Catalog Number: AE79639
Chemical Name: Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
Cas Number: 1251004-30-4
Molecular Formula: C21H31N3O4
Molecular Weight: 389.4885
Mdl Number: MFCD14581300
Smiles: O=C(N1CC[C@H]2[C@H](CC1)N(CCN2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 542
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Heavy Atom Count: 28
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 5
Xlogp3: 2.5
Catalog Number:
AE79639
Chemical Name:
Octahydropyrazino[2,3-d]azepine-1,7-dicarboxylic acid 7-benzyl ester 1-tert-butyl ester
Cas Number:
1251004-30-4
Molecular Formula:
C21H31N3O4
Molecular Weight:
389.4885
Mdl Number:
MFCD14581300
Smiles:
O=C(N1CC[C@H]2[C@H](CC1)N(CCN2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
542
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
5
Xlogp3:
2.5
Catalog Number: AE79640
Chemical Name: 1-Oxo-3-phenyl-2,8-diazaspiro[
4.5]decane-8-carboxylic acid
tert-butyl ester
Cas Number: 1251006-54-8
Molecular Formula: C19H26N2O3
Molecular Weight: 330.4213
Mdl Number: MFCD17016409
Smiles: O=C(N1CCC2(CC1)CC(NC2=O)c1ccccc1)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:
AE79640
Chemical Name:
1-Oxo-3-phenyl-2,8-diazaspiro[
4.5]decane-8-carboxylic acid
tert-butyl ester
Cas Number:
1251006-54-8
Molecular Formula:
C19H26N2O3
Molecular Weight:
330.4213
Mdl Number:
MFCD17016409
Smiles:
O=C(N1CCC2(CC1)CC(NC2=O)c1ccccc1)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: AE79641
Chemical Name: Ethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate
Cas Number: 1251009-93-4
Molecular Formula: C9H15NO2
Molecular Weight: 169.2209
Mdl Number: MFCD17016665
Smiles: CCOC(=O)C1CC2CCC1N2
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:
AE79641
Chemical Name:
Ethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate
Cas Number:
1251009-93-4
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
Mdl Number:
MFCD17016665
Smiles:
CCOC(=O)C1CC2CCC1N2
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: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: O=C(N1CCOCC2(C1)CNCCO2)OC(C)(C)C
Complexity: 329
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: -0.2
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
O=C(N1CCOCC2(C1)CNCCO2)OC(C)(C)C
Complexity:
329
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
-0.2