2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
Compound characteristics
| Compound ID: | 6466-1115 |
| Compound Name: | 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C21 H22 F3 N5 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)NC(CSc1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7236 |
| logD: | 2.7233 |
| logSw: | -3.1956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.842 |
| InChI Key: | CRVVLAFYJQPISW-UHFFFAOYSA-N |