2-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0055 |
| Compound Name: | 2-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C25 H20 F2 N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccccc1OC(F)F)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3461 |
| logD: | 5.3461 |
| logSw: | -5.5792 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.921 |
| InChI Key: | UUHHKZBZLNCPDW-UHFFFAOYSA-N |