N-[(E)-2-Chloro-2-(4-fluoro-phenyl)-1-(piperidine-1-carbonyl)-vinyl]-benzamide

• 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: N-[(E)-2-Chloro-2-(4-fluoro-phenyl)-1-(piperidine-1-carbonyl)-vinyl]-benzamide
• 英文别名: N-[(E)-2-chloro-2-(4-fluorophenyl)-1-(piperidine-1-carbonyl)vinyl]benzamide；N-[(E)-1-chloro-1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
• 化学式: C₂₁H₂₀ClFN₂O₂
• 分子量: 386.853
• InChiKey: MMWRHTFZXPPOBE-VHEBQXMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  马尿酸 在 sodium acetate 、 乙酸酐 作用下， 以 氯仿 为溶剂， 生成 N-[(E)-2-Chloro-2-(4-fluoro-phenyl)-1-(piperidine-1-carbonyl)-vinyl]-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

文献信息

• Phenylpropenamide derivatives as inhibitors of Hepatitis B virus replication
  作者：Robert B Perni、Samuel C Conway、Stephanie K Ladner、Katie Zaifert、Michael J Otto、Robert W King

  DOI：10.1016/s0960-894x(00)00544-8

  日期：2000.12

  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.