N-methyl-1-[4-[4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazin-1-yl]phenyl]methanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-methyl-1-[4-[4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazin-1-yl]phenyl]methanamine
• 化学式: C₂₅H₃₅N₃O
• 分子量: 393.6
• InChiKey: GMBSIPBWPAQQSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  27.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Benzofuran derivatives
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2781513A1

  公开（公告）日：2014-09-24

  The present invention provides a compound selected from 2-((3,4-Dimethoxyphenyl)-1-methyl-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine or a salt thereof; 1-[4-(Methylsulfonyl)phenyl]-4-(2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)pi perazine or a salt thereof; 4-[4-(2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]benzamide or a salt thereof; 1-((3,4-Dimethoxyphenyl)-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)pip erazine or a salt thereof; 1-((4-Methoxyphenyl)-4-(7-methoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)pi perazine or a salt thereof; 1-4-[4-(2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]phenyl}ethanone or a salt thereof; 5-[4-(4-Methoxyphenyl)piperazin-1-yl]-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-2-yl}methanol or a salt thereof; 1-((2,4-Dimethoxyphenyl)-4-(2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)pipera zine or a salt thereof; and 1-((2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(1H-pyrazole-3-yl)piperazine or a salt thereof.

  本发明提供的化合物选自 2-((3,4-二甲氧基苯基)-1-甲基-4-(2,2,4,6,7-五甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪或其盐； 1-[4-(甲磺酰基)苯基]-4-(2,4,6,7-四甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪或其盐； 4-[4-(2,4,6,7-四甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪-1-基]苯甲酰胺或其盐； 1-((3,4-二甲氧基苯基)-4-(2,2,4,6,7-五甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪或其盐； 1-((4-甲氧基苯基)-4-(7-甲氧基-2,4,6-三甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪或其盐； 1-4-[4-(2,2,4,6,7-五甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪-1-基]苯基}乙酮或其盐； 5-[4-(4-甲氧基苯基)哌嗪-1-基]-2,4,6,7-四甲基-2,3-二氢-1-苯并呋喃-2-基}甲醇或其盐； 1-((2,4-二甲氧基苯基)-4-(2,4,6,7-四甲基-2,3-二氢-1-苯并呋喃-5-基)哌嗪或其盐 1-((2,2,4,6,7-五甲基-2,3-二氢-1-苯并呋喃-5-基)-4-(1H-吡唑-3-基)哌嗪或其盐。