| 1315514-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• CAS: 1315514-69-2
• 化学式: C₁₅H₂₁N₃O₆S
• 分子量: 371.414
• InChiKey: IFQZJNTUNLLYLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.19
• 重原子数：
  25.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  112.53
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 氨 作用下， 以 甲醇 为溶剂， 以69%的产率得到1-[2-hydroxy-(3-carbamoylmethylthio)propyl]-3,5-diallylisocyanurate
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of novel 1,3-dimethylisocyanurate derivatives

  摘要：

  A series of novel 1,3-dimethylisocyanurates has been synthesized as potential inhibitors of beta-ketoacyl synthase in mycobacteria. Most of the 25 compounds described and tested for their activity against M. tuberculosis have a bacteriostatic effect, comparable and even higher that of first-line antituberculosis drugs. These compounds are nontoxic, species-specific, exhibiting no activity against other bacterial species. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.014