2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1821 |
| Compound Name: | 2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C20 H18 N2 O2 S |
| Smiles: | COc1cccc(c1)C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2847 |
| logD: | 3.2507 |
| logSw: | -3.6148 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.459 |
| InChI Key: | IQWHGCVZKDVBKZ-QGZVFWFLSA-N |