| 155845-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 155845-69-5
• 化学式: C₁₅H₁₅N₇O₂
• 分子量: 325.33
• InChiKey: DDSLKZQGRFCZFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  134.72
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthetic routes to mono- and bi-copper hydrazone complexes uncovered by computer simulation

  摘要：

  The chelating properties of two polyfunctional di-2-pyridylketone hydrazone ligands toward the copper ion have been investigated in mono- and bimetallic complex species. The complexation reaction is strongly influenced by the nature of the inorganic salt reagent. Structural characterization of the mono- and bimetallic copper species by powder X-ray diffraction analysis and computer simulation made an important contribution to the discovery of the synthesis conditions. Simulated IR and H-1 NMR spectra were also calculated. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00040-2