N-(2-Chlor-benzyliden)-N'-cinnamoyl-hydrazin | 25330-03-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-(2-Chlor-benzyliden)-N'-cinnamoyl-hydrazin
• 英文别名: N-[(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide
• CAS: 25330-03-4
• 化学式: C₁₆H₁₃ClN₂O
• 分子量: 284.745
• InChiKey: OXUFKZCQXWZJJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-phenylacrylic acid hydrazide 、 2-氯苯甲醛 以 乙醇 为溶剂， 以80.2%的产率得到N-(2-Chlor-benzyliden)-N'-cinnamoyl-hydrazin
  参考文献：
  名称：

  Benzylidene/2-chlorobenzylidene hydrazides: Synthesis, antimicrobial activity, QSAR studies and antiviral evaluation

  摘要：

  A series of benzylidene hydrazides (1-20) was synthesized and tested, in vitro, for antibacterial, antifungal and antiviral activities. The microbial screening results indicated that compounds having chloro and nitro substituents were the most active ones. The antiviral evaluation depicted that compounds 9 and 19 were active against Vesicular stomatitis virus (VSV) in HeLa cell cultures. QSAR investigations indicated that the multi-target QSAR model was effective in describing the antimicrobial (antibacterial and antifungal) activity over the one-target QSAR models. Further the mt-QSAR model indicated that the topological parameters, second order molecular connectivity index ((2)chi) and third order Kier's alpha shape index (kappa alpha(3)) are effective in describing the antimicrobial activity of synthesized hydrazides. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.03.002