methyl 6-chloro-2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0702 |
| Compound Name: | methyl 6-chloro-2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 420.84 |
| Molecular Formula: | C19 H14 Cl F N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2C1=O)[Cl])SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7074 |
| logD: | 0.5658 |
| logSw: | -4.2473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | SIMDDXLUYXLTNT-UHFFFAOYSA-N |