2-oxo-5-{[2-(pyridine-3-carbonyl)hydrazinylidene]methyl}-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
2-oxo-5-{[2-(pyridine-3-carbonyl)hydrazinylidene]methyl}-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
2-oxo-5-{[2-(pyridine-3-carbonyl)hydrazinylidene]methyl}-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 5577-0020 |
| Compound Name: | 2-oxo-5-{[2-(pyridine-3-carbonyl)hydrazinylidene]methyl}-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C20 H14 N6 O2 S |
| Smiles: | C(\C1=C([N-]C(=O)S1)[n+]1ccc(cc1)c1ccncc1)=N/NC(c1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2656 |
| logD: | 2.043 |
| logSw: | -2.4171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.439 |
| InChI Key: | VLMSGBSPIPONNM-UHFFFAOYSA-O |