methyl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | G023-1309 |
Compound Name: | methyl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
Molecular Weight: | 442.49 |
Molecular Formula: | C22 H22 N2 O6 S |
Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1cc(cc(c1)OC)OC)=O)C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 3.792 |
logD: | 2.3117 |
logSw: | -3.9226 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.951 |
InChI Key: | BIYCBSSRWBNWCX-UHFFFAOYSA-N |