methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | G023-1294 |
Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
Molecular Weight: | 416.88 |
Molecular Formula: | C20 H17 Cl N2 O4 S |
Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccccc1[Cl])=O)C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 3.7037 |
logD: | 2.2234 |
logSw: | -3.9063 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.166 |
InChI Key: | VFJLYDYYGRPTDV-UHFFFAOYSA-N |