N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C340-0169 |
| Compound Name: | N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 499.6 |
| Molecular Formula: | C26 H28 F3 N5 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.6951 |
| logD: | 6.6947 |
| logSw: | -6.0507 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.0097 |
| InChI Key: | HVCZIUZWJRCDKZ-UHFFFAOYSA-N |