1-(2-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V030-7905 |
| Compound Name: | 1-(2-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C22 H20 F3 N3 O2 |
| Smiles: | C1CN(Cc2cccc(c2)C(F)(F)F)C(c2ccccc2[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0872 |
| logD: | 5.0864 |
| logSw: | -5.3716 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | NWLYXYVRISIXJX-OAQYLSRUSA-N |