methyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0765 |
| Compound Name: | methyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7237 |
| logD: | 1.36 |
| logSw: | -3.4703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.125 |
| InChI Key: | KXMSLOYDJOHWGD-UHFFFAOYSA-N |