1-[4-(propan-2-yl)phenyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-[4-(propan-2-yl)phenyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-[4-(propan-2-yl)phenyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V005-4690 |
| Compound Name: | 1-[4-(propan-2-yl)phenyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C25 H27 F3 N2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2CCCN1Cc1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6069 |
| logD: | 6.5958 |
| logSw: | -6.003 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 5.9418 |
| InChI Key: | QTHRKGQOTOPTSW-XMMPIXPASA-N |