methyl 6-chloro-2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0714 |
| Compound Name: | methyl 6-chloro-2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C21 H19 Cl N2 O6 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2C1=O)[Cl])SCC(Nc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0664 |
| logD: | 0.9247 |
| logSw: | -4.4665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.951 |
| InChI Key: | JHFQJWJFXZZJBP-UHFFFAOYSA-N |