2-methoxy-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Chemical Structure Depiction of
2-methoxy-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
2-methoxy-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol
Compound characteristics
| Compound ID: | V022-1223 |
| Compound Name: | 2-methoxy-6-({1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl}methyl)phenol |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C23 H23 F3 N2 O2 |
| Smiles: | COc1cccc(CN2CCCn3cccc3C2c2ccc(cc2)C(F)(F)F)c1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2674 |
| logD: | 4.6452 |
| logSw: | -5.3014 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0514 |
| InChI Key: | KNRRLBQVRWZMEO-OAQYLSRUSA-N |