3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylpropanamide
Compound characteristics
| Compound ID: | 6466-1147 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylpropanamide |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C22 H18 F3 N3 O3 S |
| Smiles: | CN(C(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5663 |
| logD: | 4.5662 |
| logSw: | -4.5317 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.217 |
| InChI Key: | SLPMPDSGWLXNTA-UHFFFAOYSA-N |