Molecule ID: 15649436

IUPAC Name: (3Z)-3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione

Description: The molecule is a 1,4-benzodiazepinone that is 3,4-dihydro-1,4-benzodiazepine-2,5-dione substituted at position 4 by a methyl group and at position 3 by a benzylidene group.

SMILES: CN1C(=O)c2ccccc2N=C(O)/C1=C/c1ccccc1

SELFIES: [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][/C][Ring1][=N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 2.5