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2-amino-6-(5-methoxy-1H-benzoimidazol-2-ylsulfanyl)-4-thiophen-2-yl-4H-chromene-3-carboxylic acid ethyl ester | 1257314-60-5

中文名称
——
中文别名
——
英文名称
2-amino-6-(5-methoxy-1H-benzoimidazol-2-ylsulfanyl)-4-thiophen-2-yl-4H-chromene-3-carboxylic acid ethyl ester
英文别名
ethyl 2-amino-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-thiophen-2-yl-4H-chromene-3-carboxylate
2-amino-6-(5-methoxy-1H-benzoimidazol-2-ylsulfanyl)-4-thiophen-2-yl-4H-chromene-3-carboxylic acid ethyl ester化学式
CAS
1257314-60-5
化学式
C24H21N3O4S2
mdl
——
分子量
479.58
InChiKey
YXHMQGHFZPOHOL-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.4
  • 重原子数:
    33
  • 可旋转键数:
    7
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.17
  • 拓扑面积:
    153
  • 氢给体数:
    2
  • 氢受体数:
    8

反应信息

  • 作为产物:
    参考文献:
    名称:
    Aqua mediated synthesis of 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes and its in vitro study, explanation of the structure–activity relationships (SARs) as antibacterial agent
    摘要:
    Multi-component reaction (MCR) involves coupling of p-bromophenol with 2-Benzothiazolethiol, malononitrile and substituted aldehydes in aqueous K(2)CO(3) as green base to synthesize 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes. This multi-component reaction thus offers a higher yield and versatility in the preparation of densely functionalized oxygen heterocycles. The newly synthesized compounds were screened for their antibacterial activities against positive and gram negative pathogenic strains to bacteria. SAR analysis was performed to explore comprehensive structure activity relationships and a statistically reliable model to explain their antibacterial-activities. (C) 2010 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2010.08.010
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文献信息

  • Aqua mediated synthesis of 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes and its in vitro study, explanation of the structure–activity relationships (SARs) as antibacterial agent
    作者:Mazaahir Kidwai、Roona Poddar、Saurav Bhardwaj、Satendra Singh、Pratibha Mehta Luthra
    DOI:10.1016/j.ejmech.2010.08.010
    日期:2010.11
    Multi-component reaction (MCR) involves coupling of p-bromophenol with 2-Benzothiazolethiol, malononitrile and substituted aldehydes in aqueous K(2)CO(3) as green base to synthesize 2-amino-6-benzothiazol-2-ylsulfanyl-chromenes. This multi-component reaction thus offers a higher yield and versatility in the preparation of densely functionalized oxygen heterocycles. The newly synthesized compounds were screened for their antibacterial activities against positive and gram negative pathogenic strains to bacteria. SAR analysis was performed to explore comprehensive structure activity relationships and a statistically reliable model to explain their antibacterial-activities. (C) 2010 Elsevier Masson SAS. All rights reserved.
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