2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6466-1069 |
| Compound Name: | 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C20 H22 F3 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0726 |
| logD: | 4.0726 |
| logSw: | -4.2242 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.642 |
| InChI Key: | BIPNUGBRSNDGDD-UHFFFAOYSA-N |