methyl 4-oxo-2-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
methyl 4-oxo-2-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0769 |
| Compound Name: | methyl 4-oxo-2-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C22 H22 N2 O7 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5693 |
| logD: | 1.2056 |
| logSw: | -3.2845 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.842 |
| InChI Key: | HCKHTTAPTNTCEL-UHFFFAOYSA-N |