ethyl 2-({[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
Compound ID: | G751-5358 |
Compound Name: | ethyl 2-({[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
Molecular Weight: | 448.9 |
Molecular Formula: | C21 H18 Cl F N2 O4 S |
Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1ccc(c(c1)[Cl])F)=O)N2)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1418 |
logD: | 4.9511 |
logSw: | -5.4329 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.665 |
InChI Key: | MCSFKWFBRQYYHF-UHFFFAOYSA-N |