4-{3-[(benzyloxy)methyl]-4-(methanesulfonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]-4-(methanesulfonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-[(benzyloxy)methyl]-4-(methanesulfonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0646 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]-4-(methanesulfonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21 H22 F3 N3 O3 S |
| Smiles: | CS(N1CCN(CC1COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1806 |
| logD: | 3.1806 |
| logSw: | -3.5123 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.549 |
| InChI Key: | ZFRRUWKRCZAFBQ-LJQANCHMSA-N |