2-{[4-(propan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(propan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(propan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-7948 |
| Compound Name: | 2-{[4-(propan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 348.34 |
| Molecular Formula: | C14 H15 F3 N2 O3 S |
| Smiles: | CC(C)c1cc(C(F)(F)F)nc(n1)SC1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1287 |
| logD: | 3.1287 |
| logSw: | -3.114 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.311 |
| InChI Key: | IHTFJJFBQBJNGH-UHFFFAOYSA-N |