7-Chloro-3-[1,2,4]triazol-1-yl-chroman-4-one O-(3,4-dichloro-benzyl)-oxime

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-Chloro-3-[1,2,4]triazol-1-yl-chroman-4-one O-(3,4-dichloro-benzyl)-oxime
• 英文别名: 7-chloro-N-[(3,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)chroman-4-imine；(Z)-7-chloro-N-[(3,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
• 化学式: C₁₈H₁₃Cl₃N₄O₂
• 分子量: 423.686
• InChiKey: QDFFYPRUFRSGDZ-MOHJPFBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (Z)-7-chloro-2,3-dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one oxime 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-Chloro-3-[1,2,4]triazol-1-yl-chroman-4-one O-(3,4-dichloro-benzyl)-oxime
  参考文献：
  名称：

  (E)- and (Z)-1,2,4-Triazolylchromanone oxime ethers as conformationally constrained antifungals

  摘要：

  A series of 132 4-triazolylchrornanone oxime ethers were synthesized and tested for in vitro antifungal activity. Many of these derivatives exhibit high activity against Candida albicans, Saccharomyces cerevisiae, Aspergillus niger and Microsporum gypseum (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.06.010

文献信息

• (E)- and (Z)-1,2,4-Triazolylchromanone oxime ethers as conformationally constrained antifungals
  作者：Saeed Emami、Mehraban Falahati、Ali Banifatemi、Massoud Amanlou、Abbas Shafiee

  DOI：10.1016/j.bmc.2004.06.010

  日期：2004.8.1

  A series of 132 4-triazolylchrornanone oxime ethers were synthesized and tested for in vitro antifungal activity. Many of these derivatives exhibit high activity against Candida albicans, Saccharomyces cerevisiae, Aspergillus niger and Microsporum gypseum (C) 2004 Elsevier Ltd. All rights reserved.