3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | 6466-1134 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 462.45 |
| Molecular Formula: | C21 H17 F3 N4 O3 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6801 |
| logD: | 3.6777 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.093 |
| InChI Key: | WGVCLBAKZXYCPP-UHFFFAOYSA-N |