N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C267-0169 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 542.67 |
| Molecular Formula: | C28 H33 F3 N6 S |
| Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.2932 |
| logD: | 5.6057 |
| logSw: | -5.9038 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1805 |
| InChI Key: | SPRFWTZEZHSHQY-UHFFFAOYSA-N |