Methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate | 442847-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate
• CAS: 442847-58-7
• 化学式: C₂₄H₂₂N₄O₆S₂
• 分子量: 526.594
• InChiKey: ILOGGTQTKZAHRL-UHFFFAOYSA-N

物化性质

• 沸点：
  662.6±65.0 °C(Predicted)
• 密度：
  1.554±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  205
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  苯肼 、 Methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate 以 甲醇 为溶剂， 生成 4-[[[4-[[N-[4-(N-anilino-C-hydroxycarbonimidoyl)-3-hydroxyphenyl]-C-sulfanylcarbonimidoyl]amino]anilino]-sulfanylmethylidene]amino]-2-hydroxy-N-phenylbenzenecarbohydrazonic acid
  参考文献：
  名称：

  Synthesis and antifungal activities of phenylenedithioureas

  摘要：

  A total of 20 new phenylenedithiourea derivatives was synthesized by reaction of phenylenediisothiocyanates with aromatic amines as aminobenzoic, aminosalicylic acid and their derivatives. Their chemical structures were confirmed by elemental analysis, IR spectrometry and H-1 NMR. The compounds were screened for in vitro antifungal, antibacterial activities and some of them have strong antifungal activities comparable to the activity observed for ketoconazole. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.11.044
• 作为产物：
  描述：

  对苯二胺 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 生成 Methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate
  参考文献：
  名称：

  Synthesis and antifungal activities of phenylenedithioureas

  摘要：

  A total of 20 new phenylenedithiourea derivatives was synthesized by reaction of phenylenediisothiocyanates with aromatic amines as aminobenzoic, aminosalicylic acid and their derivatives. Their chemical structures were confirmed by elemental analysis, IR spectrometry and H-1 NMR. The compounds were screened for in vitro antifungal, antibacterial activities and some of them have strong antifungal activities comparable to the activity observed for ketoconazole. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.11.044