4-噻唑烷酮,5-[(1,3-二乙基-1,3-二氢-2H-苯并咪唑-2-亚基)亚乙基]-3-乙基-2-硫代- | 10150-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 4-噻唑烷酮,5-[(1,3-二乙基-1,3-二氢-2H-苯并咪唑-2-亚基)亚乙基]-3-乙基-2-硫代-
• 英文名称: 3-ethyl-5-[(1,3-diethyl-1,3-dihydro-benzimidazol-2-yliden)-ethylidene]-2-thioxo-thiazolidin-4-one
• 英文别名: 3-Aethyl-5-[(1,3-diaethyl-1,3-dihydro-benzimidazol-2-yliden)-aethyliden]-2-thioxo-thiazolidin-4-on；(5E)-5-[2-(1,3-diethylbenzimidazol-2-ylidene)ethylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 10150-12-6
• 化学式: C₁₈H₂₁N₃OS₂
• 分子量: 359.516
• InChiKey: XFMSGIQFOAMETH-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• ANTI-NEURODEGENERATIVE DISEASE AGENT
  申请人：Ohta Hitomi

  公开号：US20120035187A1

  公开（公告）日：2012-02-09

  The present invention has an object to provide a novel agent for anti-neurodegenerative diseases and solves the object by providing an agent for anti-neurodegenerative diseases containing, as an effective ingredient, the compound(s) represented by the following General formula 1: wherein in General formula 1, R 1 through R 3 independently represent a hydrogen atom or an appropriate substituent; Z 1 represents a heterocyclic ring and Z 2 represents the same or different heterocyclic or aromatic ring as in Z 1 , wherein the heterocyclic and aromatic rings optionally have a substituent; represents an integer of 0, 1 or 2; p represents an integer of 0 or 1, with the proviso that p is 1 when o is 0 or 2, and p is 0 when o is 1; R 1 and R 2 do not exist when o is 0, while, when p is 0, R 3 does not exist and the binding between the carbon atom to which R 2 binds and Z 2 is a single bond; X 1 − represents an appropriate counter anion and q represents an integer of 1 or 2.