2-[(3-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V022-8230 |
| Compound Name: | 2-[(3-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C22 H20 F3 N3 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cccc(c2)[N+]([O-])=O)C(c2ccc(cc2)C(F)(F)F)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2468 |
| logD: | 5.2341 |
| logSw: | -5.5812 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | JRLZBUWICKKFGP-OAQYLSRUSA-N |