3-[2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1943 |
| Compound Name: | 3-[2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C18 H17 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6197 |
| logD: | -0.9129 |
| logSw: | -2.1666 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.116 |
| InChI Key: | QYFADKTWZIMWMW-UHFFFAOYSA-N |