2-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-7134 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 426.37 |
| Molecular Formula: | C18 H13 F3 N2 O5 S |
| Smiles: | C1C(C2COC(C1=O)O2)Sc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6923 |
| logD: | 3.6923 |
| logSw: | -4.2322 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.155 |
| InChI Key: | LDZURKXERCVMTD-UHFFFAOYSA-N |