2-{[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-7132 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C18 H15 F3 N2 O4 S |
| Smiles: | COc1cccc(c1)c1cc(C(F)(F)F)nc(n1)SC1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.832 |
| logD: | 3.832 |
| logSw: | -4.212 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.583 |
| InChI Key: | BOIQZGSNLVRFNN-UHFFFAOYSA-N |