Methyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: Methyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate
• 化学式: C₁₆H₁₉N₃O₅
• 分子量: 333.34
• InChiKey: KSNSGYBJVDSZCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• COMPOUND JK12A AND PREPARATION THEREOF
  申请人：LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD.

  公开号：US20150065708A1

  公开（公告）日：2015-03-05

  The present invention relates to a compound [4-(2-amino-10-methyl-4-oxo-6,7,8,9-tetrahydro-4a,7-cycloimino-pyrimido[4,5-b][1,4]diazepine-5(4H)-yl)benzoyl]-glutamate (JK12A for short) with the structure in Formula I. The present invention also relates to the crystal form and salt of the compound JK12A, and preparation method and applications thereof. The compound JK12A of the present invention can be used to prepare drugs as an active ingredient for medicament or food additives.
• US9090623B2
  申请人：——

  公开号：US9090623B2

  公开（公告）日：2015-07-28