3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cyclohexylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | 6466-1129 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cyclohexylpropanamide |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21 H22 F3 N3 O3 S |
| Smiles: | C1CCC(CC1)NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2521 |
| logD: | 5.2521 |
| logSw: | -5.4468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.301 |
| InChI Key: | AYVJNXOBXRSTRG-UHFFFAOYSA-N |