3-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4408-0112 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H23 F N2 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5476 |
| logD: | 5.5476 |
| logSw: | -5.3879 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.353 |
| InChI Key: | AWWCOCPQSNZQOX-UHFFFAOYSA-N |