4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | K292-1957 |
| Compound Name: | 4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C25 H23 N3 O5 S2 |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2ccsc2C(N1Cc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3122 |
| logD: | 2.3407 |
| logSw: | -5.1066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.104 |
| InChI Key: | COQDEBMZPOCNMM-FQEVSTJZSA-N |