methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0771 |
| Compound Name: | methyl 4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 436.41 |
| Molecular Formula: | C20 H15 F3 N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.232 |
| logD: | 2.8683 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | XPIQKFLNXWGFJD-UHFFFAOYSA-N |