N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C267-0405 |
| Compound Name: | N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 528.64 |
| Molecular Formula: | C27 H31 F3 N6 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.9485 |
| logD: | 5.3785 |
| logSw: | -5.9072 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1203 |
| InChI Key: | OQZDUMOQLIHZSG-UHFFFAOYSA-N |