2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y508-8627 |
| Compound Name: | 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 398.38 |
| Molecular Formula: | C18 H14 F4 N2 O2 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3cccc(c3)OC(C(F)F)(F)F)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4805 |
| logD: | 4.4678 |
| logSw: | -4.5817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.736 |
| InChI Key: | HMRAKIXSHITEPA-UHFFFAOYSA-N |