methyl 7-chloro-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-chloro-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 7-chloro-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0668 |
| Compound Name: | methyl 7-chloro-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 434.87 |
| Molecular Formula: | C20 H16 Cl F N2 O4 S |
| Smiles: | Cc1ccc(cc1F)NC(CSC1=C(C(c2ccc(cc2N1)[Cl])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3333 |
| logD: | 1.1097 |
| logSw: | -4.5477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | KHGFSJTZICJMIP-UHFFFAOYSA-N |