5-[(2-benzoylhydrazinylidene)methyl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
5-[(2-benzoylhydrazinylidene)methyl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
5-[(2-benzoylhydrazinylidene)methyl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 5577-0025 |
| Compound Name: | 5-[(2-benzoylhydrazinylidene)methyl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | Cc1cc[n+](cc1C)C1=C(/C=N/NC(c2ccccc2)=O)SC([N-]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5898 |
| logD: | 3.477 |
| logSw: | -3.6283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.658 |
| InChI Key: | VSCQQXWNOGFHHT-UHFFFAOYSA-N |