2-(4-(N-methylpiperidino-2-methyloxy)-phenyl)-3-(4'-(2-piperidinoethyloxy)phenyl)-6-hydroxybenzothiophene

• 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: 2-(4-(N-methylpiperidino-2-methyloxy)-phenyl)-3-(4'-(2-piperidinoethyloxy)phenyl)-6-hydroxybenzothiophene
• 英文别名: 2-[4-[(1-Methylpiperidin-2-yl)methoxy]phenyl]-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol；2-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol
• 化学式: C₃₅H₄₂N₂O₃S
• 分子量: 570.796
• InChiKey: XVIINDIGOHRWGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-甲基-2-哌啶甲醇 、 3-[[4-(2-Piperidin-1-ylethoxy)phenyl]methyl]-2-[4-tri(propan-2-yl)silyloxyphenyl]-1-benzothiophen-6-ol 生成 2-(4-(N-methylpiperidino-2-methyloxy)-phenyl)-3-(4'-(2-piperidinoethyloxy)phenyl)-6-hydroxybenzothiophene
  参考文献：
  名称：

  Solid phase chemistry approach to the SAR development of a novel class of active site-directed thrombin inhibitors

  摘要：

  A solid phase chemistry approach utilizing Mitsunobu chemistry, amine functionalization. and parallel purification was used to produce a diverse library of benzothiophene analogs. These analogs were used to advance the SAR of this class of molecules and give new directions for future studies. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00684-5