AI33157
1374651-40-7 | 7-Amino-4-boc-4,5-dihydro-1h-benzo[e][1,4]diazepin-2(3h)-one
Manufacturer: A2B Chem
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CatalogNumber
AI33157
ChemicalName
7-Amino-4-boc-4,5-dihydro-1h-benzo[e][1,4]diazepin-2(3h)-one
CasNumber
1374651-40-7
MolecularFormula
C14H19N3O3
MolecularWeight
277.319
MdlNumber
MFCD22377993
Smiles
O=C1CN(Cc2c(N1)ccc(c2)N)C(=O)OC(C)(C)C
Complexity
392
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AI33157
ChemicalName: 7-Amino-4-boc-4,5-dihydro-1h-benzo[e][1,4]diazepin-2(3h)-one
CasNumber: 1374651-40-7
MolecularFormula: C14H19N3O3
MolecularWeight: 277.319
MdlNumber: MFCD22377993
Smiles: O=C1CN(Cc2c(N1)ccc(c2)N)C(=O)OC(C)(C)C
Complexity: 392
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AI33157
ChemicalName:
7-Amino-4-boc-4,5-dihydro-1h-benzo[e][1,4]diazepin-2(3h)-one
CasNumber:
1374651-40-7
MolecularFormula:
C14H19N3O3
MolecularWeight:
277.319
MdlNumber:
MFCD22377993
Smiles:
O=C1CN(Cc2c(N1)ccc(c2)N)C(=O)OC(C)(C)C
Complexity:
392
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCN(CC1=CC=CC=N1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCN(CC1=CC=CC=N1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI33159
ChemicalName: Cis-3-amino-1-boc-2-methylpyrrolidine
CasNumber: 1374653-02-7
MolecularFormula: C10H20N2O2
MolecularWeight: 200.278
MdlNumber: MFCD24856477
Smiles: C[C@@H]1[C@H](N)CCN1C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI33159
ChemicalName:
Cis-3-amino-1-boc-2-methylpyrrolidine
CasNumber:
1374653-02-7
MolecularFormula:
C10H20N2O2
MolecularWeight:
200.278
MdlNumber:
MFCD24856477
Smiles:
C[C@@H]1[C@H](N)CCN1C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NCCC1(C)CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NCCC1(C)CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__