methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1292 |
| Compound Name: | methyl 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccc(cc1)[Cl])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2477 |
| logD: | 2.7674 |
| logSw: | -4.54 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | GQEBKKNJMQKAPO-UHFFFAOYSA-N |