1-[5-cyano-4-(4-methylphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[5-cyano-4-(4-methylphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
1-[5-cyano-4-(4-methylphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8011-9658 |
| Compound Name: | 1-[5-cyano-4-(4-methylphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H16 N3 O2 |
| Salt: | Cl- |
| Smiles: | Cc1ccc(cc1)C1C(C#N)C(NC(C1[n+]1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0957 |
| logD: | -0.0098 |
| logSw: | -1.75 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.233 |
| InChI Key: | BRCBDFVVQDFCLW-UHFFFAOYSA-O |