ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8004-3982 |
| Compound Name: | ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 514.34 |
| Molecular Formula: | C19 H19 I N2 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OCC)c1ccccc1I)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1 |
| logD: | 3.0058 |
| logSw: | -3.3025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.156 |
| InChI Key: | NNVYYFQNNDOHDG-UHFFFAOYSA-N |