4-(3,5-dimethylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
4-(3,5-dimethylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
4-(3,5-dimethylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 5697-0082 |
| Compound Name: | 4-(3,5-dimethylpyridin-1-ium-1-yl)-2-oxo-5-{[2-(phenylcarbamothioyl)hydrazinylidene]methyl}-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C18 H17 N5 O S2 |
| Smiles: | Cc1cc(C)c[n+](c1)C1=C(/C=N/NC(Nc2ccccc2)=S)SC([N-]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6041 |
| logD: | 4.604 |
| logSw: | -4.1912 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.282 |
| InChI Key: | CDYLYEWVJPCVFY-UHFFFAOYSA-N |