ethyl 2-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
Compound ID: | G751-1664 |
Compound Name: | ethyl 2-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate |
Molecular Weight: | 396.46 |
Molecular Formula: | C21 H20 N2 O4 S |
Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1ccccc1)=O)N2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2199 |
logD: | 4.0292 |
logSw: | -4.1879 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.665 |
InChI Key: | JKEJYGABLYPIMF-UHFFFAOYSA-N |