3-[(2-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(2-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0748 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 494.99 |
| Molecular Formula: | C25 H16 Cl F N2 O2 S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.178 |
| logD: | 6.178 |
| logSw: | -6.1817 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.513 |
| InChI Key: | WFRWOWSHDNFYLY-UHFFFAOYSA-N |