2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4554-6452 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C21 H19 Cl N2 O2 S |
| Smiles: | CCOc1ccc(cc1)C1CC(NC(=C1C#N)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.533 |
| logD: | 4.5094 |
| logSw: | -4.5724 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.039 |
| InChI Key: | ISMWLYNWUIQQRH-QGZVFWFLSA-N |