dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Chemical Structure Depiction of
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Compound characteristics
| Compound ID: | 8001-1526 |
| Compound Name: | dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]methanide |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C24 H20 N6 O3 |
| Smiles: | Cc1cccc[n+]1C1C(C(C#N)=C([C-](C#N)C#N)NC1(C1CC1)O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6129 |
| logD: | 2.6129 |
| logSw: | -2.5999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.693 |
| InChI Key: | VPFRCQCGNFASQJ-UHFFFAOYSA-N |