3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | 6466-1141 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 455.45 |
| Molecular Formula: | C20 H20 F3 N3 O4 S |
| Smiles: | C1CC(CNC(CCSc2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3633 |
| logD: | 3.3633 |
| logSw: | -3.688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.23 |
| InChI Key: | IETZAPDANUFXOV-CYBMUJFWSA-N |