5-[[[5-[[(2,4-dimethoxy-5-nitrophenyl)-hydroxymethylidene]amino]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-hydroxymethylidene]amino]-N-[5-[C-hydroxy-N-(2-methoxyphenyl)carbonimidoyl]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,4-dimethoxybenzenecarboximidic acid | 1056472-67-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[[[5-[[(2,4-dimethoxy-5-nitrophenyl)-hydroxymethylidene]amino]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-hydroxymethylidene]amino]-N-[5-[C-hydroxy-N-(2-methoxyphenyl)carbonimidoyl]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,4-dimethoxybenzenecarboximidic acid
• CAS: 1056472-67-3
• 化学式: C₆₇H₉₁N₅O₂₇
• 分子量: 1398.48
• InChiKey: HNPJAHSJIHUGRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  99
• 可旋转键数：
  53
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  370
• 氢给体数：
  4
• 氢受体数：
  31

反应信息

• 作为反应物：
  描述：

  5-[[[5-[[(2,4-dimethoxy-5-nitrophenyl)-hydroxymethylidene]amino]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-hydroxymethylidene]amino]-N-[5-[C-hydroxy-N-(2-methoxyphenyl)carbonimidoyl]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,4-dimethoxybenzenecarboximidic acid 在 1% Pd/C 、 氢气 作用下， 生成
  参考文献：
  名称：

  Aggregation and Columnar Assembly of Crescent Oligoamides

  摘要：

  The aggregation and assembly of crescent oligoamides with two to six benzene residues are investigated. In chloroform, the pentamer and hexamer are found to associate into large aggregates. In the solid state, all oligomers examined associate into columnar assemblies via stacking interactions, as shown by X-ray diffraction data from single crystals and powder samples. The columnar assemblies of the pentamer and hexamer should contain hydrophilic channels defined by the constituent oligomers.

  DOI：

  10.1021/ol801410f
• 作为产物：
  描述：

  2,4-dimethoxy-5-nitro-benzoyl chloride 、 在 三乙胺 作用下， 生成 5-[[[5-[[(2,4-dimethoxy-5-nitrophenyl)-hydroxymethylidene]amino]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-hydroxymethylidene]amino]-N-[5-[C-hydroxy-N-(2-methoxyphenyl)carbonimidoyl]-2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,4-dimethoxybenzenecarboximidic acid
  参考文献：
  名称：

  Aggregation and Columnar Assembly of Crescent Oligoamides

  摘要：

  The aggregation and assembly of crescent oligoamides with two to six benzene residues are investigated. In chloroform, the pentamer and hexamer are found to associate into large aggregates. In the solid state, all oligomers examined associate into columnar assemblies via stacking interactions, as shown by X-ray diffraction data from single crystals and powder samples. The columnar assemblies of the pentamer and hexamer should contain hydrophilic channels defined by the constituent oligomers.

  DOI：

  10.1021/ol801410f