4-(3,5-difluorophenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-(3,5-difluorophenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-(3,5-difluorophenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1399 |
| Compound Name: | 4-(3,5-difluorophenyl)-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 461.53 |
| Molecular Formula: | C26 H21 F2 N3 O S |
| Smiles: | CSc1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1cc(cc(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4469 |
| logD: | 6.4469 |
| logSw: | -5.6751 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | JKSGHRFPFGVULJ-RUZDIDTESA-N |