methyl 7-chloro-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-hydroxyquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-chloro-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-hydroxyquinoline-3-carboxylate
methyl 7-chloro-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-hydroxyquinoline-3-carboxylate
Compound characteristics
| Compound ID: | C201-0163 |
| Compound Name: | methyl 7-chloro-2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-hydroxyquinoline-3-carboxylate |
| Molecular Weight: | 467.33 |
| Molecular Formula: | C20 H16 Cl2 N2 O5 S |
| Smiles: | COC(c1c(c2ccc(cc2nc1SCC(Nc1ccc(c(c1)[Cl])OC)=O)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2686 |
| logD: | 5.2636 |
| logSw: | -5.6673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.862 |
| InChI Key: | NTBAJBSDCATXQU-UHFFFAOYSA-N |