[3-(3-chloro-1-benzothien-5-yl)bicyclo[2.2.2]oct-2-en-2-yl]-N,N-dimethylmethanamine | 763076-25-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: [3-(3-chloro-1-benzothien-5-yl)bicyclo[2.2.2]oct-2-en-2-yl]-N,N-dimethylmethanamine
• 英文别名: 1-[3-(3-chloro-1-benzothiophen-5-yl)-2-bicyclo[2.2.2]oct-2-enyl]-N,N-dimethylmethanamine
• CAS: 763076-25-1
• 化学式: C₁₉H₂₂ClNS
• 分子量: 331.909
• InChiKey: MBHNQTSUMHPDRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  31.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Pharmaceutical compounds
  申请人：——

  公开号：US20040030131A1

  公开（公告）日：2004-02-12

  A compound of the formula in which R1 and R2 are each hydrogen or C1-4 alkyl, or R1 and R2 together with the nitrogen atom to which they are attached form an azetidinyl, pyrrolidinyl, piperidinyl, piperazinyl or morpholino group, said group being optionally substituted with 1 to 3 substituents selected from C1-4 alkyl, hydroxymethyl, C1-4 alkoxymethyl and amido, R3 is a naphthyl, indolyl, benzothienyl, benzofuranyl, benzothiazolyl, quinolinyl or isoquinolinyl group, said group being optionally substituted, and n is 1 or 2; and m is 0 or 1, provided that when m is 1 then n is 1; or a salt or ester thereof.

  该化合物的结构式为R1和R2分别为氢或C1-4烷基，或者R1和R2与它们连接的氮原子一起形成一个氮杂环丙烷基、吡咯烷基、哌啶基、哌嗪基或吗啉基，该基团可选地用1至3个来自C1-4烷基、羟甲基、C1-4烷氧甲基和酰胺的取代基取代，R3为萘基、吲哚基、苯并噻吩基、苯并呋喃基、苯并噻唑基、喹啉基或异喹啉基，该基团可选地取代，n为1或2；m为0或1，但当m为1时n为1；或其盐或酯。