3-(3-Cyclohexyl-2-{[1-(3,4-dichloro-phenyl)-meth-(E)-ylidene]-hydrazono}-2,3-dihydro-thiazol-4-yl)-chromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(3-Cyclohexyl-2-{[1-(3,4-dichloro-phenyl)-meth-(E)-ylidene]-hydrazono}-2,3-dihydro-thiazol-4-yl)-chromen-2-one
• 英文别名: 3-[3-cyclohexyl-2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one
• 化学式: C₂₅H₂₁Cl₂N₃O₂S
• 分子量: 498.433
• InChiKey: IUPMKPUNYGRWDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(溴乙酰基)香豆素 、 1-Cyclohexyl-3-[(3,4-dichlorophenyl)methylideneamino]thiourea 以 乙醇 、 氯仿 为溶剂， 反应 2.0h， 生成 3-(3-Cyclohexyl-2-{[1-(3,4-dichloro-phenyl)-meth-(E)-ylidene]-hydrazono}-2,3-dihydro-thiazol-4-yl)-chromen-2-one
  参考文献：
  名称：

  Synthesis and antitubercular activity of 4-(3-coumarinyl)-3-cyclohexyl-4-thiazolin-2-one benzylidenehydrazones

  摘要：

  In this study, a new series of 4-(3-coumarinyl)-3-cyclohexyl-4-thiazoline-2-one benzylidene hydrazones (3a-p) were synthesized. Structures of the title compounds were determined by analytical and spectral methods. 3a-p were evaluated for antituberculosis activity against Mycobacterium tuberculosis H37Rv. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01254-5

文献信息

• Synthesis and antitubercular activity of 4-(3-coumarinyl)-3-cyclohexyl-4-thiazolin-2-one benzylidenehydrazones
  作者：N. Karalı、A. Kocabalkanlı、A. Gürsoy、Ö. Ateş

  DOI：10.1016/s0014-827x(02)01254-5

  日期：2002.7

  In this study, a new series of 4-(3-coumarinyl)-3-cyclohexyl-4-thiazoline-2-one benzylidene hydrazones (3a-p) were synthesized. Structures of the title compounds were determined by analytical and spectral methods. 3a-p were evaluated for antituberculosis activity against Mycobacterium tuberculosis H37Rv. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.