3-[2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1798 |
| Compound Name: | 3-[2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C19 H19 N3 O6 S2 |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2ccsc2C(N1CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3825 |
| logD: | -1.1501 |
| logSw: | -2.2687 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.049 |
| InChI Key: | NIDFDXVIKKOOMW-UHFFFAOYSA-N |