N-[3-(methylsulfanyl)phenyl]-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0991 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C26 H23 N3 O S |
| Smiles: | CSc1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2257 |
| logD: | 6.2257 |
| logSw: | -5.501 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | JXDTYPDJMZOCEW-RUZDIDTESA-N |