ethyl 5-cyano-4-(2-iodophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-4-(2-iodophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 5-cyano-4-(2-iodophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2621 |
| Compound Name: | ethyl 5-cyano-4-(2-iodophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C16 H15 I N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SC)c1ccccc1I)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0045 |
| logD: | 2.7733 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.998 |
| InChI Key: | CRBJIUSMKAIHOA-UHFFFAOYSA-N |