2-({2-[4-(4-benzylpiperidin-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({2-[4-(4-benzylpiperidin-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--hydrogen chloride (1/1)
2-({2-[4-(4-benzylpiperidin-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-0049 |
| Compound Name: | 2-({2-[4-(4-benzylpiperidin-1-yl)-6-(4-methylanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--hydrogen chloride (1/1) |
| Molecular Weight: | 575.07 |
| Molecular Formula: | C29 H30 N8 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)Nc1nc(N/N=C/c2cccc(c2O)[N+]([O-])=O)nc(n1)N1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.5264 |
| logD: | 7.5921 |
| logSw: | -5.9585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.09 |
| InChI Key: | SQKWIRYJPNULDZ-NDZAJKAJSA-N |