5-{3-[2-(4-tert-Butylthiazol-2-yl)benzofuran-5-yloxymethyl]phenyl}-1H-tetrazole | 149412-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-{3-[2-(4-tert-Butylthiazol-2-yl)benzofuran-5-yloxymethyl]phenyl}-1H-tetrazole
• 英文别名: 4-tert-butyl-2-[5-[[3-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole
• CAS: 149412-94-2
• 化学式: C₂₃H₂₁N₅O₂S
• 分子量: 431.518
• InChiKey: QGJRBLUNOCMWJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0528337A1

  公开（公告）日：1993-02-24

  A compound of the formula : wherein    R¹ is lower alkyl optionally substituted with halogen, lower alkylamino or lower alkyl(acyl)amino; cyclo(lower)alkyl; tricycloalkyl; aryl optionally substituted with lower alkoxy; or a heterocyclic group;    R² is hydrogen or halogen, or    R¹ and R² are taken together with the adjacent atoms to form cycloalken ring or an N-containing heterocyclic group optionally substituted with acyl,    R³ is hydrogen, halogen, hydroxy, lower alkyl or lower alkoxy,    R⁴ is hydrogen; acyl; cyano; aryl optionally substituted with hydroxy(lower)alkyl, halo(lower)alkyl, cyano(lower)alkyl, heterocyclic(lower)alkyl or acyl; or lower alkyl which may be substituted with substituent(s) selected from the group consisting of halogen, cyano, hydroxy, lower alkylsulfonyloxy, arylsulfonyloxy, acyl, acyl(lower)alkylthio and aryl optionally substituted with halo(lower)alkyl, cyano(lower)alkyl, heterocyclic(lower)alkyl, cyano, acyl, acyl(lower)alkyl, a heterocyclic group or (lower alkylsulfinyl)(lower alkylthio)lower alkenyl;    A is lower alkylene, lower alkenylene or a single bond,    X is a single bond, O or S, and    Y is O or S, provided that A is loweralkylene or lower alkenylene, or       X is O or S when R¹ is lower alkyl or aryl and R² is hydorgen, and pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions comprising them.

  式中的化合物： 其中 R¹ 是任选被卤素、低级烷基氨基或低级烷基（酰基）氨基取代的低级烷基；环（低级）烷基；三环烷基；任选被低级烷氧基取代的芳基；或杂环基团； R² 是氢或卤素，或 R¹ 和 R² 与相邻原子一起形成环烯环或可选择被酰基取代的含 N 杂环基团、 R³ 是氢、卤素、羟基、低级烷基或低级烷氧基、 R⁴ 是氢；酰基；氰基；可选择被羟基（低级）烷基、卤代（低级）烷基、氰基（低级）烷基、杂环（低级）烷基或酰基取代的芳基；或低级烷基，可被选自卤素、氰基、羟基、低级烷基磺酰氧基、芳基磺酰氧基、酰基、酰基（低级）烷硫基和任选被卤代（低级）烷基、氰基（低级）烷基、杂环（低级）烷基、氰基、酰基、酰基（低级）烷基、杂环基团或（低级烷基亚磺酰基）（低级烷硫基）低级烯基所取代的取代基所取代； A 是低级亚烷基、低级烯基或单键、 X 是单键、O 或 S，以及 Y 是 O 或 S、 只要 A 是低级亚烷基或低级烯基，或 当 R¹ 为低级烷基或芳基且 R² 为水合氢时，X 为 O 或 S、 及其药学上可接受的盐、制备工艺和包含它们的药物组合物。
• US5296495A
  申请人：——

  公开号：US5296495A

  公开（公告）日：1994-03-22