methyl 2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0763 |
| Compound Name: | methyl 2-{[2-(3-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(Nc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2552 |
| logD: | 1.8915 |
| logSw: | -3.7298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.408 |
| InChI Key: | VAFXKAODAVLMCG-UHFFFAOYSA-N |