3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | 6466-1143 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C23 H20 F3 N3 O3 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6825 |
| logD: | 4.6825 |
| logSw: | -4.8262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.417 |
| InChI Key: | XYHFYZKDRVERIV-UHFFFAOYSA-N |