3-(3,3-diethoxypropyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-(3,3-diethoxypropyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0744 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C25 H26 N2 O6 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(c(c1)O)O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9926 |
| logD: | 3.8102 |
| logSw: | -3.7813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.513 |
| InChI Key: | LTJMCOHGZURVDJ-UHFFFAOYSA-N |