4-[4-(methylsulfanyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-[4-(methylsulfanyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-[4-(methylsulfanyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0538 |
| Compound Name: | 4-[4-(methylsulfanyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C30 H29 N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc2CCCCc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9118 |
| logD: | 7.9118 |
| logSw: | -5.7598 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.7938 |
| InChI Key: | NGVQTCDPAZDOFJ-GDLZYMKVSA-N |