2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0755 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C24 H22 N2 O6 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC(c2ccc(c(c2)O)O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4609 |
| logD: | 3.2785 |
| logSw: | -3.6192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.372 |
| InChI Key: | LKZHDUMTLOJEJL-UHFFFAOYSA-N |