2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-7133 |
| Compound Name: | 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 442.41 |
| Molecular Formula: | C19 H17 F3 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)SC1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3941 |
| logD: | 3.3941 |
| logSw: | -3.8148 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.3 |
| InChI Key: | VIGGFYOEGXMIPM-UHFFFAOYSA-N |