methyl 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-5610 |
| Compound Name: | methyl 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C22 H24 N2 O7 S |
| Smiles: | CCOC(CC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccc(cc1)OCC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9751 |
| logD: | 1.8439 |
| logSw: | -2.5496 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.455 |
| InChI Key: | NTBOQDSWDUIDSZ-UHFFFAOYSA-N |