4-[4-(methylsulfanyl)phenyl]-N-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-[4-(methylsulfanyl)phenyl]-N-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-[4-(methylsulfanyl)phenyl]-N-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0573 |
| Compound Name: | 4-[4-(methylsulfanyl)phenyl]-N-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C23 H25 N3 O S |
| Smiles: | CC(C)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7327 |
| logD: | 5.7327 |
| logSw: | -5.501 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1389 |
| InChI Key: | HEGJQDSBRUPSDH-JOCHJYFZSA-N |