2-{[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-6757 |
| Compound Name: | 2-{[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 451.25 |
| Molecular Formula: | C17 H11 Cl2 F3 N2 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)Sc1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0539 |
| logD: | 5.0539 |
| logSw: | -5.5023 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.039 |
| InChI Key: | LBHWBALXVNKFPV-UHFFFAOYSA-N |