methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0021 |
| Compound Name: | methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C21 H26 N2 O3 S |
| Smiles: | CCCCCCSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.985 |
| logD: | 4.8497 |
| logSw: | -4.6133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | RNTXTVRKFATPHU-UHFFFAOYSA-N |