3-[2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1939 |
| Compound Name: | 3-[2-{[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)SC1=Nc2ccsc2C(N1CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5788 |
| logD: | 1.0462 |
| logSw: | -3.7327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.786 |
| InChI Key: | YJFHSOURBMBUJP-INIZCTEOSA-N |