4-[[1-(4-Chlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]methyl]thiomorpholine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-[[1-(4-Chlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]methyl]thiomorpholine
• 英文别名: 4-[[1-(4-chlorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methyl]thiomorpholine
• 化学式: C₂₂H₂₃ClN₂S
• 分子量: 382.957
• InChiKey: HXXNAOQTGHTARJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  33.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-苯基-1,4-戊二酮 在 氢气 作用下， 生成 4-[[1-(4-Chlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]methyl]thiomorpholine
  参考文献：
  名称：

  New pyrrole derivatives as antimycobacterial agents analogs of BM212

  摘要：

  During the course of our investigations in the field of azole antimicrobial agents, we have identified BM212 a pyrrole derivative with good in vitro activity against mycobacteria and candidae. These findings prompted us to prepare new pyrrole derivatives 2-6 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00510-7

文献信息

• New pyrrole derivatives as antimycobacterial agents analogs of BM212
  作者：Mariangela Biava、Rossella Fioravanti、Giulio Cesare Porretta、Delia Deidda、Carlo Maullu、Raffaello Pompei

  DOI：10.1016/s0960-894x(99)00510-7

  日期：1999.10

  During the course of our investigations in the field of azole antimicrobial agents, we have identified BM212 a pyrrole derivative with good in vitro activity against mycobacteria and candidae. These findings prompted us to prepare new pyrrole derivatives 2-6 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 1999 Elsevier Science Ltd. All rights reserved.