(R)-[4-[5-[1-[quinuclidin-3-yl]-1H-1,2,3-triazol-4-yl]-3-furyl]phenyl]methanol | 1404051-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (R)-[4-[5-[1-[quinuclidin-3-yl]-1H-1,2,3-triazol-4-yl]-3-furyl]phenyl]methanol
• 英文别名: [4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]furan-3-yl]phenyl]methanol
• CAS: 1404051-45-1
• 化学式: C₂₀H₂₂N₄O₂
• 分子量: 350.42
• InChiKey: ICVWLWWKZQXBMH-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF
  申请人：Routier Sylvain

  公开号：US20140030191A1

  公开（公告）日：2014-01-30

  A compound having the following general formula (I): wherein: X is a nitrogen atom and Y is a carbon atom; or X is a carbon atom and Y is a nitrogen atom; the Ar group is an aryl or heteroaryl group; and the RN and RN′ groups, together with the carbon atoms to which they are bound, form a monocyclic or bicyclic azacycloalkane group. The pharmaceutically acceptable salts thereof, the hydrates or polymorphic crystalline structures thereof, and to the racemates, diastereoisomers, or enantiomers thereof are also described.

  具有以下通式（I）的化合物：其中：X是氮原子，Y是碳原子；或者X是碳原子，Y是氮原子；Ar基团是芳基或杂芳基；RN和RN′基团，与其所连接的碳原子一起，形成单环或双环氮杂环烷基团。还描述了其药学上可接受的盐、水合物或多晶型晶体结构，以及其消旋体、非对映异构体或对映异构体。
• 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof
  申请人：Routier Sylvain

  公开号：US10059704B2

  公开（公告）日：2018-08-28

  A compound having the following general formula (I): wherein: X is a nitrogen atom and Y is a carbon atom; or X is a carbon atom and Y is a nitrogen atom; the Ar group is an aryl or heteroaryl group; and the RN and RN′ groups, together with the carbon atoms to which they are bound, form a monocyclic or bicyclic azacycloalkane group. The pharmaceutically acceptable salts thereof, the hydrates or polymorphic crystalline structures thereof, and to the racemates, diastereoisomers, or enantiomers thereof are also described.

  具有以下通式(I)的化合物： 其中 X 是氮原子，Y 是碳原子；或 X 是碳原子，Y 是氮原子； Ar 基团是芳基或杂芳基；以及 RN和RN′基团与其结合的碳原子一起形成单环或双环偶氮环烷基团。还描述了其药学上可接受的盐、其水合物或多晶体结构，以及其外消旋体、非对映异构体或对映体。