N-[3-(methylsulfanyl)phenyl]-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0637 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C29 H29 N3 O S |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5596 |
| logD: | 7.5596 |
| logSw: | -5.6223 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | XXAXLIXWGQBWSN-MUUNZHRXSA-N |