4-[4-(benzyloxy)phenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-[4-(benzyloxy)phenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 3448-4317 |
Compound Name: | 4-[4-(benzyloxy)phenyl]-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 376.48 |
Molecular Formula: | C22 H20 N2 O2 S |
Smiles: | C=CCSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)OCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1236 |
logD: | 4.0552 |
logSw: | -4.4259 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.415 |
InChI Key: | FKZIMCXGLPJGFE-LJQANCHMSA-N |