[2-(1,3-Benzoxazol-2-ylamino)pyrimidin-5-yl]-(3,5-dichloro-2-hydroxyphenyl)methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(1,3-Benzoxazol-2-ylamino)pyrimidin-5-yl]-(3,5-dichloro-2-hydroxyphenyl)methanone
• 化学式: C₁₈H₁₀Cl₂N₄O₃
• 分子量: 401.2
• InChiKey: HRNFBZBKQVPGSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Inhibitor for V-Atpase Activity, Antibacterial Agent, Medicine, Antibacterial Method and Screening Method
  申请人：Japan Science and Technology Agency

  公开号：US20220105076A1

  公开（公告）日：2022-04-07

  An inhibitor for Na + -translocating V-ATPase activity including a compound represented by where R 1 represents a group selected from a hydroxy group, an alkoxy group, and a haloalkoxy group, each bonded to an adjacent phenyl group via oxygen, or a group selected from a dialkylamino group, a heterocyclic amine, and a carboxylic acid amide group, each bonded to an adjacent phenyl group via nitrogen, or represents bromine, iodine, or a straight-chain hydrocarbon group. R 2 represents hydrogen or a haloalkoxy group. Z 1 represents an aliphatic hydrocarbon group, an alicyclic hydrocarbon group, an aromatic hydrocarbon group, or a heterocyclic group, each optionally having an arbitrary substituent and having a structure containing a double bond selected from between the group and an adjacent phenyl group. The symbol * represents a bond to the adjacent phenyl group.