methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0753 |
| Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 402.85 |
| Molecular Formula: | C19 H15 Cl N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2395 |
| logD: | 1.8758 |
| logSw: | -3.6284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | XYPGFURXUAKQOE-UHFFFAOYSA-N |