3-(4-ethoxyphenyl)-2-{[2-(4-methoxyphenyl)-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-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-(4-ethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4408-0114 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 506.64 |
| Molecular Formula: | C27 H26 N2 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5009 |
| logD: | 5.5009 |
| logSw: | -5.3957 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.897 |
| InChI Key: | ITCMYXWENWSPHP-UHFFFAOYSA-N |