AE98375
195985-12-7 | 3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AE98375
ChemicalName
3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
CasNumber
195985-12-7
MolecularFormula
C10H8N2O4
MolecularWeight
220.1815
MdlNumber
MFCD00798180
Smiles
O=C1CNC(=O)c2c(N1)cc(cc2)C(=O)O
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-0.3
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CatalogNumber: AE98375
ChemicalName: 3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
CasNumber: 195985-12-7
MolecularFormula: C10H8N2O4
MolecularWeight: 220.1815
MdlNumber: MFCD00798180
Smiles: O=C1CNC(=O)c2c(N1)cc(cc2)C(=O)O
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AE98375
ChemicalName:
3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
CasNumber:
195985-12-7
MolecularFormula:
C10H8N2O4
MolecularWeight:
220.1815
MdlNumber:
MFCD00798180
Smiles:
O=C1CNC(=O)c2c(N1)cc(cc2)C(=O)O
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-0.3
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Smiles: C=CCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccccc1
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Smiles:
C=CCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccccc1
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Smiles: COC(=O)c1sc(cc1N)c1cccs1
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Smiles:
COC(=O)c1sc(cc1N)c1cccs1
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CC)c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CC)c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__