5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(3-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Chemical Structure Depiction of
5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(3-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(3-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Compound characteristics
| Compound ID: | 1114-0156 |
| Compound Name: | 5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(3-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate |
| Molecular Weight: | 400.37 |
| Molecular Formula: | C16 H12 N6 O5 S |
| Smiles: | Cc1ccc[n+](c1)c1c(/C=N/Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)sc(n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.1311 |
| logD: | 4.1307 |
| logSw: | -4.1494 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.603 |
| InChI Key: | QJZAVPHRUAAORY-UHFFFAOYSA-N |