3-[4-(difluoromethoxy)phenyl]-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[4-(difluoromethoxy)phenyl]-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0024 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 556.61 |
| Molecular Formula: | C27 H22 F2 N2 O5 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc2c(c1)OCCO2)=O)c1ccc(cc1)OC(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5319 |
| logD: | 4.5319 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.658 |
| InChI Key: | QIORKKWWRKKXNA-UHFFFAOYSA-N |