3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | 6466-1138 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 491.49 |
| Molecular Formula: | C23 H20 F3 N3 O4 S |
| Smiles: | COc1ccc(CNC(CCSc2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8902 |
| logD: | 4.8902 |
| logSw: | -4.6549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.119 |
| InChI Key: | ZKSRKUOSGUBESH-UHFFFAOYSA-N |