2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0030 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 533.01 |
| Molecular Formula: | C25 H19 Cl F2 N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc(cc1)[Cl])=O)c1ccc(cc1)OC(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8296 |
| logD: | 5.8296 |
| logSw: | -6.4387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.834 |
| InChI Key: | VNGFKTJFCZSJFT-UHFFFAOYSA-N |