3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-phenyl-
Basic information
- CAS
20430-81-3- Standard SMILES
CCOC1=NCC(=O)N(c2ccccc2)c2ccc(Cl)cc21- InChIKey
BONVKFPMYTYOLD-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-phenyl-
- IUPAC
- 7-chloro-5-ethoxy-1-phenyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-5-ethoxy-1-phenyl-1H-1,4-benzodiazepin-2(3H)-one
- Molecular formula
- C17H15ClN2O2
- Molecular weight
- 314.77
Names & synonyms
20430-81-33H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-5-ETHOXY-1-PHENYL-BRN 07563917-Chloro-5-ethoxy-1-phenyl-3H-1,4-benzodiazepin-2(1H)-oneCHEMBL3277022DTXSID801743797-Chloro-5-ethoxy-1-phenyl-1H-1,4-benzodiazepin-2(3H)-one7-chloro-5-ethoxy-1-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneDB-3073327-Chloro-5-ethoxy-1-phenyl -1h-1,4-benzodiazepin-2(3h)-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-ethoxy-1,3-dihydro-1-phenyl-
Database identifiers
- CAS
20430-81-3- PubChem CID
- 30157
- DTXSID
DTXSID80174379- ChEMBL
CHEMBL3277022- Nikkaji
- J69.307C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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