N-{4-[2-Fluoro-4-((R)-5-isothiocyanatomethyl-2-oxo-oxazolidin-3-yl)-phenylsulfanyl]-phenyl}-acetamide | 771477-26-0

• 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-{4-[2-Fluoro-4-((R)-5-isothiocyanatomethyl-2-oxo-oxazolidin-3-yl)-phenylsulfanyl]-phenyl}-acetamide
• CAS: 771477-26-0
• 化学式: C₁₉H₁₆FN₃O₃S₂
• 分子量: 417.485
• InChiKey: ZNVLGMNNUJRKNK-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71.0
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-{4-[2-Fluoro-4-((R)-5-isothiocyanatomethyl-2-oxo-oxazolidin-3-yl)-phenylsulfanyl]-phenyl}-acetamide 在 氨 作用下， 以 甲醇 为溶剂， 生成 N-{4-[2-Fluoro-4-((S)-2-oxo-5-thioureidomethyl-oxazolidin-3-yl)-phenylsulfanyl]-phenyl}-acetamide
  参考文献：
  名称：

  Synthesis and antibacterial activity of some aryloxy/thioaryloxy oxazolidinone derivatives

  摘要：

  A series of aryloxy/thioaryloxy oxazolidinone derivatives has been synthesized and tested for in vitro antibacterial activity by MIC determination against a panel of susceptible and resistant Gram-positive and Gram-negative microorganisms, some of which are resistant to methicillin and vancomycin. Compounds 12a, 12b, 14a, and 14b from this series were found to be equipotent or more potent than linezolid in vitro. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.096
• 作为产物：
  描述：

  4-乙酰氨基苯硫酚 在 palladium on activated charcoal 、 正丁基锂 、 sodium azide 、 TEA 、 甲酸铵 、 氯甲酸乙酯 、 sodium carbonate 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 、 乙腈 为溶剂， 反应 16.0h， 生成 N-{4-[2-Fluoro-4-((R)-5-isothiocyanatomethyl-2-oxo-oxazolidin-3-yl)-phenylsulfanyl]-phenyl}-acetamide
  参考文献：
  名称：

  Synthesis and antibacterial activity of some aryloxy/thioaryloxy oxazolidinone derivatives

  摘要：

  A series of aryloxy/thioaryloxy oxazolidinone derivatives has been synthesized and tested for in vitro antibacterial activity by MIC determination against a panel of susceptible and resistant Gram-positive and Gram-negative microorganisms, some of which are resistant to methicillin and vancomycin. Compounds 12a, 12b, 14a, and 14b from this series were found to be equipotent or more potent than linezolid in vitro. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.096