3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide
Compound characteristics
| Compound ID: | 6466-1144 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C23 H20 F3 N3 O3 S |
| Smiles: | CN(Cc1ccccc1)C(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4432 |
| logD: | 5.4432 |
| logSw: | -5.4069 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.999 |
| InChI Key: | FINNIKWRASDDQR-UHFFFAOYSA-N |