2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
• 化学式: C₂₆H₂₄BrN₅O₂
• mdl: MFCD01366718
• 分子量: 518.413
• InChiKey: USPPNTSZNLLUEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  77.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide 、 四氯化锡 以 异丙醇 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  Coordination compounds of tin(IV) with products of gidazepam and arylaldehydes condensation

  摘要：

  Reactions of tin tetrachloride in a 2-propanol solution and the products of condensation of 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide (gidazepam) with 4-dimethylaminobenzaldehyde, 4-brombenzaldehyde, and 2-pyridinaldehyde made it possible to obtain for the first time the corresponding tin coordination compounds by the template synthesis. The composition and structure of the complexes were determined by physicochemical methods. Tin(IV) coordination polyhedron in these complexes is the octahedron formed by four chlorine atoms, the azomethyne nitrogen atom, and the oxygen atom of the ligand carbonyl group.

  DOI：

  10.1134/s1070363216120148
• 作为产物：
  描述：

  对二甲氨基苯甲醛 、 7-溴-2,3-二氢-2-氧代-5-苯基-1H-1,4-苯并二氮杂卓-1-乙酰肼 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
  参考文献：
  名称：

  Coordination compounds of tin(IV) with products of gidazepam and arylaldehydes condensation

  摘要：

  Reactions of tin tetrachloride in a 2-propanol solution and the products of condensation of 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide (gidazepam) with 4-dimethylaminobenzaldehyde, 4-brombenzaldehyde, and 2-pyridinaldehyde made it possible to obtain for the first time the corresponding tin coordination compounds by the template synthesis. The composition and structure of the complexes were determined by physicochemical methods. Tin(IV) coordination polyhedron in these complexes is the octahedron formed by four chlorine atoms, the azomethyne nitrogen atom, and the oxygen atom of the ligand carbonyl group.

  DOI：

  10.1134/s1070363216120148