3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-tert-butylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-tert-butylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-tert-butylpropanamide
Compound characteristics
| Compound ID: | 6466-1123 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-tert-butylpropanamide |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C19 H20 F3 N3 O3 S |
| Smiles: | CC(C)(C)NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.618 |
| logD: | 4.618 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.671 |
| InChI Key: | XLFVDXLHXYYZNL-UHFFFAOYSA-N |