4-(2-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Chemical Structure Depiction of
4-(2-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
4-(2-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Compound characteristics
| Compound ID: | 8001-1540 |
| Compound Name: | 4-(2-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C23 H18 Br N3 O S |
| Smiles: | C(C1C(C(C(c2ccccc2)(NC=1[S-])O)[n+]1ccccc1)c1ccccc1[Br])#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1657 |
| logD: | 4.1657 |
| logSw: | -4.4079 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.225 |
| InChI Key: | OMHKFLFTFPMOEU-UHFFFAOYSA-N |