methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0477 |
| Compound Name: | methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4423 |
| logD: | 2.3111 |
| logSw: | -2.7694 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.576 |
| InChI Key: | MRGOIXJTSQMIPQ-UHFFFAOYSA-N |