4-phenyl-N-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-phenyl-N-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-phenyl-N-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0968 |
| Compound Name: | 4-phenyl-N-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C26 H20 F3 N3 O |
| Smiles: | C1c2ccccc2n2cccc2C(c2ccccc2)N1C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.808 |
| logD: | 6.808 |
| logSw: | -6.2571 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | CIWWCEFWOUIZQK-XMMPIXPASA-N |