methyl 6-fluoro-4-[3-(methylsulfanyl)anilino]quinoline-2-carboxylate
Chemical Structure Depiction of
methyl 6-fluoro-4-[3-(methylsulfanyl)anilino]quinoline-2-carboxylate
methyl 6-fluoro-4-[3-(methylsulfanyl)anilino]quinoline-2-carboxylate
Compound characteristics
| Compound ID: | L480-0186 |
| Compound Name: | methyl 6-fluoro-4-[3-(methylsulfanyl)anilino]quinoline-2-carboxylate |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C18 H15 F N2 O2 S |
| Smiles: | COC(c1cc(c2cc(ccc2n1)F)Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8716 |
| logD: | 4.8715 |
| logSw: | -4.8176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.958 |
| InChI Key: | XEKMVUUSRSZBAQ-UHFFFAOYSA-N |