2-[(3-chloro-4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3-chloro-4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3-chloro-4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-1242 |
| Compound Name: | 2-[(3-chloro-4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 422.85 |
| Molecular Formula: | C22 H19 Cl F4 N2 |
| Smiles: | C1CN(Cc2ccc(c(c2)[Cl])F)C(c2cccc(c2)C(F)(F)F)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9852 |
| logD: | 5.9846 |
| logSw: | -6.6175 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 5.9418 |
| InChI Key: | DBPGAKUFQWNZJQ-OAQYLSRUSA-N |