2-({2-[4-(2,3-dimethylanilino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4-nitrophenol--acetic acid (1/1)
Chemical Structure Depiction of
2-({2-[4-(2,3-dimethylanilino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4-nitrophenol--acetic acid (1/1)
2-({2-[4-(2,3-dimethylanilino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4-nitrophenol--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8009-0824 |
| Compound Name: | 2-({2-[4-(2,3-dimethylanilino)-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4-nitrophenol--acetic acid (1/1) |
| Molecular Weight: | 536.59 |
| Molecular Formula: | C24 H28 N8 O3 |
| Salt: | CH3COOH |
| Smiles: | CC1CCN(CC1)c1nc(Nc2cccc(C)c2C)nc(N/N=C/c2cc(ccc2O)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2656 |
| logD: | 6.3567 |
| logSw: | -5.6713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.034 |
| InChI Key: | PGKZKLQOUCPRMJ-AFUMVMLFSA-N |