3-[2-{[1-(2,6-diethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{[1-(2,6-diethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[2-{[1-(2,6-diethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1941 |
| Compound Name: | 3-[2-{[1-(2,6-diethylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CCC(C(Nc1c(CC)cccc1CC)=O)SC1=Nc2ccsc2C(N1CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9006 |
| logD: | 1.3681 |
| logSw: | -3.7963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.39 |
| InChI Key: | GESZPZUULJCXIX-KRWDZBQOSA-N |