4-(2-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 3331-4040 |
Compound Name: | 4-(2-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 302.39 |
Molecular Formula: | C16 H18 N2 O2 S |
Smiles: | CCOc1ccccc1C1CC(NC(=C1C#N)SCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.079 |
logD: | 3.0217 |
logSw: | -3.3673 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.397 |
InChI Key: | MHYAIHGXMYWNMH-GFCCVEGCSA-N |