ethyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
ethyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-2011 |
| Compound Name: | ethyl 2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C18 H20 N2 O5 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5678 |
| logD: | 2.5677 |
| logSw: | -3.101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.31 |
| InChI Key: | VSPZIMDMJXIWQH-UHFFFAOYSA-N |