2-{[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-6758 |
| Compound Name: | 2-{[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C18 H16 F2 N2 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)F)nc(n1)SC1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7734 |
| logD: | 3.7734 |
| logSw: | -3.9569 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.039 |
| InChI Key: | QJZHUDPDGNIUET-UHFFFAOYSA-N |