Molecule ID: 179344

IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate

Description: The molecule is the acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy. It has a role as an anticonvulsant and a drug allergen. It is an acetate ester, a dibenzoazepine, a carboxamide and a member of ureas. It derives from a licarbazepine.

SMILES: CC(=O)O[C@H]1Cc2ccccc2N(C(=N)O)c2ccccc21

SELFIES: [C][C][=Branch1][C][=O][O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][=Branch1][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 72.6 Ų
- LogP: 2.0