4-chloro-2-({1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Chemical Structure Depiction of
4-chloro-2-({1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
4-chloro-2-({1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Compound characteristics
| Compound ID: | V004-0260 |
| Compound Name: | 4-chloro-2-({1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol |
| Molecular Weight: | 420.86 |
| Molecular Formula: | C22 H20 Cl F3 N2 O |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cc(ccc2O)[Cl])C(c2cccc(c2)C(F)(F)F)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6527 |
| logD: | 5.6513 |
| logSw: | -6.1009 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4899 |
| InChI Key: | ITDGEYXIJAACIY-OAQYLSRUSA-N |