ethyl 2-({[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-5353 |
| Compound Name: | ethyl 2-({[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C22 H21 Cl N2 O5 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1ccc(c(c1)[Cl])OC)=O)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9222 |
| logD: | 4.7315 |
| logSw: | -4.9334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.295 |
| InChI Key: | HJVMGGDNPRFZHI-UHFFFAOYSA-N |