2-({2-[4-{[(furan-2-yl)methyl]amino}-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({2-[4-{[(furan-2-yl)methyl]amino}-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
2-({2-[4-{[(furan-2-yl)methyl]amino}-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-5332 |
| Compound Name: | 2-({2-[4-{[(furan-2-yl)methyl]amino}-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1) |
| Molecular Weight: | 557.91 |
| Molecular Formula: | C22 H19 N9 O7 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)Nc1nc(NCc2ccco2)nc(N/N=C/c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.856 |
| logD: | 2.0221 |
| logSw: | -5.4665 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 171.025 |
| InChI Key: | JSMIABBMRVLBKH-BHGWPJFGSA-N |