methyl 2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1385 |
| Compound Name: | methyl 2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=C(C(c2ccccc2N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.233 |
| logD: | 3.2838 |
| logSw: | -4.3783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.621 |
| InChI Key: | GLKYDNWHRSTGND-KRWDZBQOSA-N |