2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 3329-3751 |
Compound Name: | 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 320.84 |
Molecular Formula: | C16 H17 Cl N2 O S |
Smiles: | CCCCSC1=C(C#N)C(CC(N1)=O)c1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1174 |
logD: | 4.0772 |
logSw: | -4.2195 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.187 |
InChI Key: | BZDKJFNHBQHIBF-LBPRGKRZSA-N |