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6-benzyl-3-(4-[2-(4-morpholinyl)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one

中文名称
——
中文别名
——
英文名称
6-benzyl-3-(4-[2-(4-morpholinyl)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one
英文别名
6-benzyl-3-{4-[2-(4-morpholinyl)ethoxyl]phenyl}-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one;6-Benzyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one;6-benzyl-3-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
6-benzyl-3-(4-[2-(4-morpholinyl)ethoxy]phenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one化学式
CAS
——
化学式
C24H24N4O3S
mdl
——
分子量
448.546
InChiKey
INEMBYZIMPZINR-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.12
  • 重原子数:
    32.0
  • 可旋转键数:
    7.0
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    68.96
  • 氢给体数:
    0.0
  • 氢受体数:
    8.0

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    参考文献:
    名称:
    Design, Synthesis, and Biological Evaluation of 7H-Thiazolo[3,2-b]-1,2,4-triazin-7-one Derivatives as Dual Binding Site Acetylcholinesterase Inhibitors
    摘要:
    A series of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were designed, synthesized and evaluated as dual binding site acetylcholinesterase inhibitors. The target compounds exhibited promising inhibitory activity for AChE. The structure-activity relationships were discussed and their binding conformation and simultaneous interactions mode were further clarified by the molecular docking studies.
    DOI:
    10.3987/com-18-12820
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文献信息

  • Design, Synthesis, and Biological Evaluation of 7H-Thiazolo[3,2-b]-1,2,4-triazin-7-one Derivatives as Dual Binding Site Acetylcholinesterase Inhibitors
    作者:Chun Hu、Si-Jie Liu、Li-Bo Cui、Hiu-Lan Xu、Tie-Ying Wang、Shuo Li、Huang-Quan Lin、Daivd Chicheong Wan
    DOI:10.3987/com-18-12820
    日期:——
    A series of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were designed, synthesized and evaluated as dual binding site acetylcholinesterase inhibitors. The target compounds exhibited promising inhibitory activity for AChE. The structure-activity relationships were discussed and their binding conformation and simultaneous interactions mode were further clarified by the molecular docking studies.
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