methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0751 |
| Compound Name: | methyl 2-{[2-(4-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(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7835 |
| logD: | 2.4198 |
| logSw: | -4.3996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | QKNYPGZGUVKCCI-UHFFFAOYSA-N |