N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8011-9914 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 417.85 |
| Molecular Formula: | C18 H16 Cl F4 N3 S |
| Smiles: | C1CN(CCN1C(Nc1ccc(c(c1)[Cl])F)=S)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3922 |
| logD: | 5.3918 |
| logSw: | -6.2384 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.397 |
| InChI Key: | LNJAALUXDFNSEJ-UHFFFAOYSA-N |