2-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole | 1092699-69-8

• 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-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
• 英文别名: 2-(1-benzothiophen-3-yl)-5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole
• CAS: 1092699-69-8
• 化学式: C₂₆H₂₅ClN₂O₂S
• 分子量: 465.016
• InChiKey: BPTRIBNSVMBJGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  64.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 ammonium acetate 、 溶剂黄146 作用下， 反应 16.0h， 生成 2-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
  参考文献：
  名称：

  Small, non-peptide C5a receptor antagonists: Part 2

  摘要：

  Starting from 2, several highly potent C5a receptor antagonists were synthesised through alpha-amide substitution. Attempts to increase the polarity of these compounds through the introduction of basic centres or incorporation into weakly basic heterocycles is described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.101

文献信息

• Small, non-peptide C5a receptor antagonists: Part 2
  作者：Julian Blagg、Charles Mowbray、David Pryde、Gary Salmon、David Fairman、Esther Schmid、Kevin Beaumont

  DOI：10.1016/j.bmcl.2008.08.101

  日期：2008.10

  Starting from 2, several highly potent C5a receptor antagonists were synthesised through alpha-amide substitution. Attempts to increase the polarity of these compounds through the introduction of basic centres or incorporation into weakly basic heterocycles is described. (C) 2008 Elsevier Ltd. All rights reserved.