(E)-(S)-N-[3-{4-(4-(3-benzo[1,3]-dioxol-5-yl-acryloyl)-piperazin-1-yl)-3-fluorophenyl}-2-oxo-oxazolidin-5-ylmethyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (E)-(S)-N-[3-{4-(4-(3-benzo[1,3]-dioxol-5-yl-acryloyl)-piperazin-1-yl)-3-fluorophenyl}-2-oxo-oxazolidin-5-ylmethyl]acetamide
• 英文别名: N-[[(5S)-3-[4-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C₂₆H₂₇FN₄O₆
• 分子量: 510.522
• InChiKey: RXTYBIDTJSLCNN-BEGIUABZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (E)-(S)-N-[3-{4-(4-(3-benzo[1,3]-dioxol-5-yl-acryloyl)-piperazin-1-yl)-3-fluorophenyl}-2-oxo-oxazolidin-5-ylmethyl]acetamide 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (E)-(S)-N-[3-{4-(4-(3-benzo[1,3]-dioxol-5-yl-acryloyl)-piperazin-1-yl)-3-fluorophenyl}-2-oxo-oxazolidin-5-ylmethyl]thioacetamide
  参考文献：
  名称：

  Oxazolidinone: search for highly potent antibacterial

  摘要：

  A number of substituted piperazinyl oxazolidinone derivatives have been synthesized and their antibacterial activities were evaluated by MIC determination. A systematic SAR was carried out to get highly potent oxazolidinone derivatives. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.024
• 作为产物：
  描述：

  乙酸酐 、 在 吡啶 作用下， 生成 (E)-(S)-N-[3-{4-(4-(3-benzo[1,3]-dioxol-5-yl-acryloyl)-piperazin-1-yl)-3-fluorophenyl}-2-oxo-oxazolidin-5-ylmethyl]acetamide
  参考文献：
  名称：

  Oxazolidinone: search for highly potent antibacterial

  摘要：

  A number of substituted piperazinyl oxazolidinone derivatives have been synthesized and their antibacterial activities were evaluated by MIC determination. A systematic SAR was carried out to get highly potent oxazolidinone derivatives. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.024