4-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2-(4-nitro-phenyl)-4H-oxazol-5-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2-(4-nitro-phenyl)-4H-oxazol-5-one
• 英文别名: 5(4H)-Oxazolone, 4-[(4-chlorophenyl)methylene]-2-(4-nitrophenyl)-；(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
• 化学式: C₁₆H₉ClN₂O₄
• 分子量: 328.711
• InChiKey: MZYTVWRLTXNNSE-ZROIWOOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  哌啶 、 4-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2-(4-nitro-phenyl)-4H-oxazol-5-one 在 溴 、 calcium carbonate 作用下， 以 氯仿 为溶剂， 生成 N-[(E)-2-Bromo-2-(4-chloro-phenyl)-1-(piperidine-1-carbonyl)-vinyl]-4-nitro-benzamide
  参考文献：
  名称：

  Phenylpropenamide derivatives as inhibitors of Hepatitis B virus replication

  摘要：

  A non-nucleoside class of compounds that inhibits the replication of hepatitis B virus (HBV) in cell culture has been discovered. A series of substituted analogues of phenylpropenamide 6 has been prepared and evaluated in the HepAD38 cellular assay. Structure-activity relationships of this series are discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00544-8
• 作为产物：
  描述：

  4-硝基马尿酸 、 4-氯苯甲醛 在 sodium acetate 、 乙酸酐 作用下， 生成 4-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2-(4-nitro-phenyl)-4H-oxazol-5-one
  参考文献：
  名称：

  Phenylpropenamide derivatives as inhibitors of Hepatitis B virus replication

  摘要：

  A non-nucleoside class of compounds that inhibits the replication of hepatitis B virus (HBV) in cell culture has been discovered. A series of substituted analogues of phenylpropenamide 6 has been prepared and evaluated in the HepAD38 cellular assay. Structure-activity relationships of this series are discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00544-8