3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(propan-2-yl)propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(propan-2-yl)propanamide
Compound characteristics
Compound ID: | 6466-1119 |
Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(propan-2-yl)propanamide |
Molecular Weight: | 413.42 |
Molecular Formula: | C18 H18 F3 N3 O3 S |
Smiles: | CC(C)NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.1158 |
logD: | 4.1158 |
logSw: | -4.2873 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.821 |
InChI Key: | PDXQQSSDFMMDEX-UHFFFAOYSA-N |