5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(pyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Chemical Structure Depiction of
5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(pyridin-1-ium-1-yl)-1,3-thiazol-2-olate
5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(pyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Compound characteristics
| Compound ID: | 1114-0165 |
| Compound Name: | 5-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-4-(pyridin-1-ium-1-yl)-1,3-thiazol-2-olate |
| Molecular Weight: | 386.34 |
| Molecular Formula: | C15 H10 N6 O5 S |
| Smiles: | C(\c1c(nc([O-])s1)[n+]1ccccc1)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.424 |
| logD: | 3.4236 |
| logSw: | -3.8303 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.71 |
| InChI Key: | JXWLTCDOIYOQQR-UHFFFAOYSA-N |