methyl 6,7-dimethoxy-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Chemical Structure Depiction of
methyl 6,7-dimethoxy-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
methyl 6,7-dimethoxy-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Compound characteristics
| Compound ID: | L479-0483 |
| Compound Name: | methyl 6,7-dimethoxy-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | COC(c1cc(c2cc(c(cc2n1)OC)OC)OCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.465 |
| logD: | 3.465 |
| logSw: | -3.877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.467 |
| InChI Key: | OPUJMXZDNMCLAW-UHFFFAOYSA-N |