2-(benzylsulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-(benzylsulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 6040-0691 |
| Compound Name: | 2-(benzylsulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 394.46 |
| Molecular Formula: | C20 H21 F3 N2 O S |
| Smiles: | C1CN(CCN1C(CSCc1ccccc1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2551 |
| logD: | 4.2551 |
| logSw: | -4.3318 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.6196 |
| InChI Key: | XOYIBAVZRNMNJW-UHFFFAOYSA-N |