(5RS)-4-(3-bromo-4-fluorophenyl)-3-cyano-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Chemical Structure Depiction of
(5RS)-4-(3-bromo-4-fluorophenyl)-3-cyano-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
(5RS)-4-(3-bromo-4-fluorophenyl)-3-cyano-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Compound characteristics
| Compound ID: | 8002-7069 |
| Compound Name: | (5RS)-4-(3-bromo-4-fluorophenyl)-3-cyano-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate |
| Molecular Weight: | 404.26 |
| Molecular Formula: | C17 H11 Br F N3 O S |
| Smiles: | C(C1C(c2ccc(c(c2)[Br])F)[C@H](C(NC=1[S-])=O)[n+]1ccccc1)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4254 |
| logD: | 2.3864 |
| logSw: | -3.1006 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.175 |
| InChI Key: | NTGCZZBUBZTSQP-LOACHALJSA-N |