3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide
Compound characteristics
| Compound ID: | 6466-1150 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C22 H24 F3 N3 O3 S |
| Smiles: | C1CCCC(CC1)NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.748 |
| logD: | 5.748 |
| logSw: | -5.8669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.632 |
| InChI Key: | WZSWHZXDZTXGLQ-UHFFFAOYSA-N |