2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ol
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ol
2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ol
Compound characteristics
| Compound ID: | 8012-7892 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ol |
| Molecular Weight: | 414.4 |
| Molecular Formula: | C18 H17 F3 N2 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)nc(n1)SC1CC(C2OCC1O2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8453 |
| logD: | 3.8453 |
| logSw: | -4.1322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.951 |
| InChI Key: | VTGVURHSGJTLAM-UHFFFAOYSA-N |