dicyano[rel-(4R,5S,6S)-3-cyano-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Chemical Structure Depiction of
dicyano[rel-(4R,5S,6S)-3-cyano-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
dicyano[rel-(4R,5S,6S)-3-cyano-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Compound characteristics
| Compound ID: | 8004-9308 |
| Compound Name: | dicyano[rel-(4R,5S,6S)-3-cyano-4-(4-fluorophenyl)-6-hydroxy-6-methyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C21 H16 F N5 O |
| Smiles: | C[C@]1([C@@H]([C@H](C(C#N)=C([C-](C#N)C#N)N1)c1ccc(cc1)F)[n+]1ccccc1)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7533 |
| logD: | 1.7533 |
| logSw: | -1.3875 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.851 |
| InChI Key: | YOJAKELRJSHEPN-GIVPXCGWSA-N |