(E)-(S)-N-[3-(3-fluoro-4-(4-[3-phenylacryloyl]-piperazin-1-yl)-phenyl)-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-(3-fluoro-4-(4-[3-phenylacryloyl]-piperazin-1-yl)-phenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide
• 英文别名: N-[[(5S)-3-[3-fluoro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C₂₅H₂₇FN₄O₄
• 分子量: 466.512
• InChiKey: OBENZBMAMXREGC-CLNPQZTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (E)-(S)-N-[3-(3-fluoro-4-(4-[3-phenylacryloyl]-piperazin-1-yl)-phenyl)-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-(3-fluoro-4-(4-[3-phenylacryloyl]-piperazin-1-yl)-phenyl)-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 、 (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one 在 吡啶 作用下， 生成 (E)-(S)-N-[3-(3-fluoro-4-(4-[3-phenylacryloyl]-piperazin-1-yl)-phenyl)-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

文献信息

• Oxazolidinone: search for highly potent antibacterial
  作者：Braj Bhushan Lohray、Vidya Bhushan Lohray、Brijesh Kumar Srivastava、Sunil Gupta、Manish Solanki、Prashant Kapadnis、Vijay Takale、Purvi Pandya

  DOI：10.1016/j.bmcl.2004.04.024

  日期：2004.6

  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.