4-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1538 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.884 |
| logD: | 5.884 |
| logSw: | -5.5303 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.832 |
| InChI Key: | RXULBGKVPDCZEH-HHHXNRCGSA-N |