4-[4-(dimethylamino)phenyl]-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-[4-(dimethylamino)phenyl]-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-[4-(dimethylamino)phenyl]-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1242 |
| Compound Name: | 4-[4-(dimethylamino)phenyl]-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C28 H28 N4 O S |
| Smiles: | CN(C)c1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3114 |
| logD: | 6.2981 |
| logSw: | -5.5382 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3758 |
| InChI Key: | WETNECCERGRYBS-HHHXNRCGSA-N |