Basic information
- CAS
34099-62-2- Standard SMILES
CC1N=C(c2ccccc2)c2ccccc2NC1=O- InChIKey
QFCQGJLUYWNOAC-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 3-Methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
- IUPAC
- 3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
3-Methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one34099-62-2SCHEMBL3143162DTXSID60452682QFCQGJLUYWNOAC-UHFFFAOYSA-NAKOS015935618methyl-5-phenyl-3h-1,4-benzodiazepin-2-one3-Methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
34099-62-2- PubChem CID
- 11032297
- DTXSID
DTXSID60452682- Nikkaji
- J2.244.782C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
5 records
Compound notes
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