4,6-dibromo-11,15,20-triazapentacyclo[12.6.1.02,12.03,8.017,21]henicosa-1(20),2(12),3(8),4,6,14(21),16-heptaen-13-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4,6-dibromo-11,15,20-triazapentacyclo[12.6.1.02,12.03,8.017,21]henicosa-1(20),2(12),3(8),4,6,14(21),16-heptaen-13-one
• 化学式: C₁₈H₁₃Br₂N₃O
• 分子量: 447.129
• InChiKey: YOVSMQBSDFCADZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1',5'-dibromo-6'-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),9(16),11-tetraene-3,3'-cyclohexa-1,4-diene]-8-one 生成 4,6-dibromo-11,15,20-triazapentacyclo[12.6.1.02,12.03,8.017,21]henicosa-1(20),2(12),3(8),4,6,14(21),16-heptaen-13-one
  参考文献：
  名称：

  BLUNT, J. W.;MUNRO, M. H. G.;BATTERSHILL, C. N.;COPP, B. R.;MCCOMBS, J. D+, NEW J. CHEM., 14,(1990) N0, C. 761-775

  摘要：

  DOI：

文献信息

• Natural and Synthetic Derivatives of Discorhabdin C, a Cytotoxic Pigment from the New Zealand Sponge Latrunculia cf. bocagei
  作者：Brent R. Copp、Kate F. Fulton、Nigel B. Perry、John W. Blunt、Murray H. G. Munro

  DOI：10.1021/jo00105a047

  日期：1994.12

  Modification of the spiro-cyclohexadienone skeleton of discorhabdin C (3) led to a series of derivatives 6-11. The biological properties of this series were evaluated in a wide range of screens for selective cytotoxicity, antifungal, and antimicrobial properties. The structure and biological properties of a further discorhabdin, discorhabdin E (5), from a New Zealand sponge Latrunculia cf. bocagei are also presented.
• BLUNT, J. W.;MUNRO, M. H. G.;BATTERSHILL, C. N.;COPP, B. R.;MCCOMBS, J. D+, NEW J. CHEM., 14,(1990) N0, C. 761-775
  作者：BLUNT, J. W.、MUNRO, M. H. G.、BATTERSHILL, C. N.、COPP, B. R.、MCCOMBS, J. D+

  DOI：——

  日期：——