5-Propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-imine | 188738-99-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 5-Propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-imine
• CAS: 188738-99-0
• 化学式: C₃₈H₃₃N₇S
• 分子量: 619.793
• InChiKey: BOZTZCDYMOWMDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-imine 在 吡啶 、 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Quantitative structure-activity relationships of benzoyliminothiadiazoline derivatives as angiotensin II receptor antagonists

  摘要：

  Syntheses and biological activities of benzoyliminothiadiazoline derivatives which have potential affinities for angiotensin II receptor are described. The contributions of substituent (R(1)) on the benzene ring in benzoyl moiety and 5-position substituent (R(2)) on the 1,3,4-thiadiazoline ring were quantitatively investigated. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00026-7
• 作为产物：
  描述：

  5-丙基[1,3,4]噻二唑-2-胺 在 sodium hydroxide 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 5-Propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-imine
  参考文献：
  名称：

  Quantitative structure-activity relationships of benzoyliminothiadiazoline derivatives as angiotensin II receptor antagonists

  摘要：

  Syntheses and biological activities of benzoyliminothiadiazoline derivatives which have potential affinities for angiotensin II receptor are described. The contributions of substituent (R(1)) on the benzene ring in benzoyl moiety and 5-position substituent (R(2)) on the 1,3,4-thiadiazoline ring were quantitatively investigated. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00026-7

文献信息

• US5654322A
  申请人：——

  公开号：US5654322A

  公开（公告）日：1997-08-05
• Quantitative structure-activity relationships of benzoyliminothiadiazoline derivatives as angiotensin II receptor antagonists
  作者：Terukage Hirata、Satoru Goto、Koichi Tamura、Masayasu Okuhira、Yoshimitsu Nagao

  DOI：10.1016/s0960-894x(97)00026-7

  日期：1997.2

  Syntheses and biological activities of benzoyliminothiadiazoline derivatives which have potential affinities for angiotensin II receptor are described. The contributions of substituent (R(1)) on the benzene ring in benzoyl moiety and 5-position substituent (R(2)) on the 1,3,4-thiadiazoline ring were quantitatively investigated. (C) 1997, Elsevier Science Ltd.