6-oxo-4-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
6-oxo-4-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
6-oxo-4-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1897 |
| Compound Name: | 6-oxo-4-[4-(propan-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 312.43 |
| Molecular Formula: | C18 H20 N2 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(NC(=C1C#N)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0474 |
| logD: | 3.9791 |
| logSw: | -4.003 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | CBJHBEYCBQVFEG-HNNXBMFYSA-N |