N-(2-thiono-4H-benzo[e][1,3]oxazin-3-yl)-2-[4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)phenoxy]acetamide | 1228172-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-thiono-4H-benzo[e][1,3]oxazin-3-yl)-2-[4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)phenoxy]acetamide
• CAS: 1228172-27-7
• 化学式: C₃₀H₂₂N₄O₄S
• 分子量: 534.595
• InChiKey: ZHNZANOGAFHBRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  85.69
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  二硫化碳 、 [4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)phenoxy]acetic acid N-(2-hydroxybenzyl)hydrazide 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以55%的产率得到N-(2-thiono-4H-benzo[e][1,3]oxazin-3-yl)-2-[4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)phenoxy]acetamide
  参考文献：
  名称：

  Syntheses Of New Heterocycles Derived From 2-Phenyl-3,1 - Benzoxazin-4-One And Their Antibacterial And Antifungal Activity

  摘要：

  A series of novel substituted N-(6-substituted-4H-benzo[e][1,3]oxazin-3-yl)- 2-[4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)-phenoxy]-acetamides (9a-b) and N-(6-substituted-2-thione-4H-benzo[e][1,3]oxazin-3-yl)-2-[4-(4-oxo-2-phenyl-4H-quinazolin-3- -yl)-phenoxy]-acetamides (10a-b) were designed and synthesized. The structures of the newly synthesized compounds have been confirmed by IR, H-1 NMR and mass spectra. The compounds have also been screened for their biological activity.

  DOI：

  10.1515/hc.2009.15.4.251