N-(4-methylphenyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-methylphenyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide
N-(4-methylphenyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y503-1870 |
| Compound Name: | N-(4-methylphenyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C21 H22 F3 N7 S |
| Smiles: | Cc1ccc(cc1)NC(N1CCN(CC1)c1nc(cc(C(F)(F)F)n1)c1cnn(C)c1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6393 |
| logD: | 4.6393 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.433 |
| InChI Key: | CAAWHKILXGQPRW-UHFFFAOYSA-N |