4-[4-(methylsulfanyl)phenyl]-N-(2-phenylethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-[4-(methylsulfanyl)phenyl]-N-(2-phenylethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-[4-(methylsulfanyl)phenyl]-N-(2-phenylethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0557 |
| Compound Name: | 4-[4-(methylsulfanyl)phenyl]-N-(2-phenylethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C28 H27 N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6589 |
| logD: | 6.6589 |
| logSw: | -5.7006 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7347 |
| InChI Key: | XTOUTIZEUOQORC-HHHXNRCGSA-N |