benzhydryl (6R,7R)-3-(chloromethyl)-7-(2-((2,5-dichlorophenyl)thio)acetamido)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | 1370637-75-4

• 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: benzhydryl (6R,7R)-3-(chloromethyl)-7-(2-((2,5-dichlorophenyl)thio)acetamido)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 1370637-75-4
• 化学式: C₃₀H₂₅Cl₃N₂O₆S
• 分子量: 647.963
• InChiKey: XBNWSBUGFAFVGR-IHLOFXLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  94.17
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  benzhydryl (6R,7R)-3-(chloromethyl)-7-(2-((2,5-dichlorophenyl)thio)acetamido)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 在 间甲酚 、 sodium iodide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 1-(((6R,7R)-2-carboxy-7-(2-((2,5-dichlorophenyl)thio)acetamido)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium iodide
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel 1-oxacephem analogs

  摘要：

  A series of 1-oxacephem analogs were synthesized and their antibacterial properties against five strait is of Gram-positive and Gram-negative bacteria were evaluated in vitro while ceftazidine was selected as control. Some of the tested compounds, compound 12c in particular, showed more active against three selected strains than the standard. (C) 2012 Yong Wu. Published by Elsevier B.V, on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.01.014
• 作为产物：
  描述：

  氧头孢母核 在 吡啶 、 次氯酸叔丁酯 、 五氯化磷 、 三氯氧磷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 benzhydryl (6R,7R)-3-(chloromethyl)-7-(2-((2,5-dichlorophenyl)thio)acetamido)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel 1-oxacephem analogs

  摘要：

  A series of 1-oxacephem analogs were synthesized and their antibacterial properties against five strait is of Gram-positive and Gram-negative bacteria were evaluated in vitro while ceftazidine was selected as control. Some of the tested compounds, compound 12c in particular, showed more active against three selected strains than the standard. (C) 2012 Yong Wu. Published by Elsevier B.V, on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.01.014