ethyl 6-(butylsulfanyl)-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-(butylsulfanyl)-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-(butylsulfanyl)-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3329-3846 |
| Compound Name: | ethyl 6-(butylsulfanyl)-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C20 H24 N2 O3 S |
| Smiles: | CCCCSC1=C(C#N)C(C(C(N1)=O)C(=O)OCC)c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2139 |
| logD: | 4.0787 |
| logSw: | -4.0259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.998 |
| InChI Key: | QLROYWKBPIURNS-UHFFFAOYSA-N |