propan-2-yl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
propan-2-yl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-2008 |
| Compound Name: | propan-2-yl 2-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C19 H22 N2 O5 S |
| Smiles: | CC(C)OC(c1cccnc1SCC(Nc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3888 |
| logD: | 3.3887 |
| logSw: | -3.8321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.816 |
| InChI Key: | XEFOWYNZTMNWOJ-UHFFFAOYSA-N |