4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]benzonitrile
4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | L221-0141 |
| Compound Name: | 4-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]benzonitrile |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C27 H21 N3 O |
| Smiles: | Cc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6747 |
| logD: | 5.6747 |
| logSw: | -5.5833 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.806 |
| InChI Key: | KKOXHFQIOPIYDX-AREMUKBSSA-N |