2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-9718 |
| Compound Name: | 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 372.32 |
| Molecular Formula: | C15 H11 F3 N2 O4 S |
| Smiles: | C1C(C2COC(C1=O)O2)Sc1nc(cc(C(F)(F)F)n1)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7998 |
| logD: | 2.7998 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.618 |
| InChI Key: | NTOFWZUELGTYOL-UHFFFAOYSA-N |