3-[4-(difluoromethoxy)phenyl]-2-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[4-(difluoromethoxy)phenyl]-2-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[4-(difluoromethoxy)phenyl]-2-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0025 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-2-({2-[4-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 564.58 |
| Molecular Formula: | C26 H20 F4 N2 O4 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc(cc1)OC(F)F)=O)c1ccc(cc1)OC(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3202 |
| logD: | 5.3202 |
| logSw: | -5.6535 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.439 |
| InChI Key: | FFJPQDVVYVKJII-UHFFFAOYSA-N |