N-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y500-8860 |
| Compound Name: | N-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H22 F3 N3 S |
| Smiles: | C(CNC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4107 |
| logD: | 4.4093 |
| logSw: | -4.3681 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.5607 |
| InChI Key: | KZBOAXADTSMGSP-UHFFFAOYSA-N |