2-{[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0048 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 547.04 |
| Molecular Formula: | C26 H21 Cl F2 N2 O3 S2 |
| Smiles: | CC(C(c1ccc(cc1)[Cl])=O)SC1=Nc2c(C(N1c1ccc(cc1)OC(F)F)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5358 |
| logD: | 6.5358 |
| logSw: | -6.508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.326 |
| InChI Key: | FOIAENAQGSKZLW-AWEZNQCLSA-N |