4-{[2-{[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-{[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
4-{[2-{[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | K292-1958 |
| Compound Name: | 4-{[2-{[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid |
| Molecular Weight: | 528.05 |
| Molecular Formula: | C25 H22 Cl N3 O4 S2 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)SC1=Nc2ccsc2C(N1Cc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0015 |
| logD: | 3.03 |
| logSw: | -5.8331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.863 |
| InChI Key: | MCZNNDKQTGVUFW-FQEVSTJZSA-N |