methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0762 |
| Compound Name: | methyl 2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9419 |
| logD: | 1.5782 |
| logSw: | -3.734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.797 |
| InChI Key: | PFBBLWVIIJJTHN-UHFFFAOYSA-N |