methyl 6-fluoro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Chemical Structure Depiction of
methyl 6-fluoro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
methyl 6-fluoro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate
Compound characteristics
| Compound ID: | L479-0307 |
| Compound Name: | methyl 6-fluoro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethoxy}quinoline-2-carboxylate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C20 H17 F N2 O4 S |
| Smiles: | COC(c1cc(c2cc(ccc2n1)F)OCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9571 |
| logD: | 3.9571 |
| logSw: | -4.1155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.207 |
| InChI Key: | OFOLTMUJOBCBAI-UHFFFAOYSA-N |