AB34161
28544-83-4 | 1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
Manufacturer: A2B Chem
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CatalogNumber
AB34161
ChemicalName
1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
CasNumber
28544-83-4
MolecularFormula
C9H10N2O
MolecularWeight
162.1885
MdlNumber
MFCD09832126
Smiles
O=C1NCCNc2c1cccc2
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AB34161
ChemicalName: 1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
CasNumber: 28544-83-4
MolecularFormula: C9H10N2O
MolecularWeight: 162.1885
MdlNumber: MFCD09832126
Smiles: O=C1NCCNc2c1cccc2
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AB34161
ChemicalName:
1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
CasNumber:
28544-83-4
MolecularFormula:
C9H10N2O
MolecularWeight:
162.1885
MdlNumber:
MFCD09832126
Smiles:
O=C1NCCNc2c1cccc2
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: S=c1cccn[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
S=c1cccn[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: CNC(c1ccccc1)C(=O)O.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CNC(c1ccccc1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__