ethyl 2-({[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
Compound ID: | G751-5349 |
Compound Name: | ethyl 2-({[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
Molecular Weight: | 430.91 |
Molecular Formula: | C21 H19 Cl N2 O4 S |
Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1cccc(c1)[Cl])=O)N2)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1652 |
logD: | 4.9745 |
logSw: | -5.3995 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.665 |
InChI Key: | GDEGHLOZWLCVMI-UHFFFAOYSA-N |