ethyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
ethyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3795 |
| Compound Name: | ethyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5155 |
| logD: | 3.5155 |
| logSw: | -3.6305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.351 |
| InChI Key: | MZUPXZXGQRBICD-UHFFFAOYSA-N |