methyl 6-methyl-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
methyl 6-methyl-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Compound characteristics
| Compound ID: | L479-0131 |
| Compound Name: | methyl 6-methyl-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1ccc2c(c1)c(cc(C(=O)OC)n2)OCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3464 |
| logD: | 4.3464 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.207 |
| InChI Key: | RQYGCSLVODOITI-UHFFFAOYSA-N |