3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)propan-1-one
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | 7213-0404 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)propan-1-one |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C22 H24 F3 N3 O3 S |
| Smiles: | CCC1CCCCN1C(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2048 |
| logD: | 5.2048 |
| logSw: | -5.0795 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.143 |
| InChI Key: | IIPMCYCUEDAMHG-HNNXBMFYSA-N |