4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(pyridine-4-carbonyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(pyridine-4-carbonyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(pyridine-4-carbonyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 0865-0073 |
| Compound Name: | 4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(pyridine-4-carbonyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C22 H17 N5 O2 S |
| Smiles: | C(c1ccccc1)c1ccc[n+](c1)C1=C(/C=N/NC(c2ccncc2)=O)SC([N-]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2608 |
| logD: | 2.8487 |
| logSw: | -3.13 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.814 |
| InChI Key: | UHJUUOYTWUNCIG-UHFFFAOYSA-N |