4-ethyl-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-ethyl-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-ethyl-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0814 |
| Compound Name: | 4-ethyl-N-[3-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C22 H23 N3 O S |
| Smiles: | CCC1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3726 |
| logD: | 5.3726 |
| logSw: | -5.3536 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.7949 |
| InChI Key: | HSVLMUHHJIMDFA-IBGZPJMESA-N |