3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzylpropanamide
Compound characteristics
| Compound ID: | 6466-1140 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzylpropanamide |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C22 H18 F3 N3 O3 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9078 |
| logD: | 4.9078 |
| logSw: | -5.0408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.576 |
| InChI Key: | RFANSMWSCWEDBG-UHFFFAOYSA-N |