4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Chemical Structure Depiction of
4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Compound characteristics
| Compound ID: | 8001-1532 |
| Compound Name: | 4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate |
| Molecular Weight: | 442.38 |
| Molecular Formula: | C21 H20 Br N3 O S |
| Smiles: | Cc1cc[n+](cc1)C1C(C(C#N)=C(NC1(C1CC1)O)[S-])c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1493 |
| logD: | 4.1492 |
| logSw: | -4.0885 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.748 |
| InChI Key: | ZDYZSORIDLCNKZ-UHFFFAOYSA-N |