dicyano[3-cyano-6-cyclopropyl-6-hydroxy-4-(2-methoxyphenyl)-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Chemical Structure Depiction of
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-4-(2-methoxyphenyl)-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-4-(2-methoxyphenyl)-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Compound characteristics
| Compound ID: | 8001-1528 |
| Compound Name: | dicyano[3-cyano-6-cyclopropyl-6-hydroxy-4-(2-methoxyphenyl)-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C25 H23 N5 O2 |
| Smiles: | Cc1cc[n+](cc1)C1C(C(C#N)=C([C-](C#N)C#N)NC1(C1CC1)O)c1ccccc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8814 |
| logD: | 2.8814 |
| logSw: | -3.1703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.909 |
| InChI Key: | RPIBSEOCTLNUGI-UHFFFAOYSA-N |