N-[4-[[(4-bromophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide | 146305-36-4

• 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: N-[4-[[(4-bromophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide
• CAS: 146305-36-4
• 化学式: C₂₁H₁₇BrN₄O₂S
• 分子量: 469.362
• InChiKey: GSCJGYDVPGAUDH-UHFFFAOYSA-N

物化性质

• 密度：
  1.551±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[4-[[(4-bromophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide 在 硫酸 作用下， 以 甲醇 、 水 为溶剂， 反应 14.0h， 生成 N-(4-bromophenyl)-5-(4-{[(4-methoxyphenyl)methylidene]amino}phenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Synthesis of 5-(4-aminophenyl)-2-(arylamino)-1,3,4-thiadiazoles and their schiff base derivatives as antimycobacterial agents

  摘要：

  The condensation reaction of 5-(4-aminophenyl)-N-aryl-1,3,4-thiadiazol-2-ylamines with salicyl-aldehyde, 3-hydroxybenzaldehyde, 4-hydroxybenzaldehyde, 5-bromosalicylaldehyde, 5-chlorosalicyl-aldehyde, 4-methoxybenzaldehyde, 3-nitrobenzaldehyde, and 4-nitrobenzaldehyde results in series of new Schiff bases. The synthesized compounds were tested for their antimicrobial efficiency against Mycobacterium smegmatis PTCC 1307 in vitro. All compounds showed significant antiproliferative activity against M. smegmatis.

  DOI：

  10.1007/s10593-012-0998-y
• 作为产物：
  描述：

  4-(苯甲酰基氨基)苯甲酸乙酯 以 乙醇 为溶剂， 生成 N-[4-[[(4-bromophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide
  参考文献：
  名称：

  Synthesis of 5-(4-aminophenyl)-2-(arylamino)-1,3,4-thiadiazoles and their schiff base derivatives as antimycobacterial agents

  摘要：

  The condensation reaction of 5-(4-aminophenyl)-N-aryl-1,3,4-thiadiazol-2-ylamines with salicyl-aldehyde, 3-hydroxybenzaldehyde, 4-hydroxybenzaldehyde, 5-bromosalicylaldehyde, 5-chlorosalicyl-aldehyde, 4-methoxybenzaldehyde, 3-nitrobenzaldehyde, and 4-nitrobenzaldehyde results in series of new Schiff bases. The synthesized compounds were tested for their antimicrobial efficiency against Mycobacterium smegmatis PTCC 1307 in vitro. All compounds showed significant antiproliferative activity against M. smegmatis.

  DOI：

  10.1007/s10593-012-0998-y

文献信息

• Kalyoncuoglu; Rollas; Sur-Altiner, Pharmazie, 1992, vol. 47, # 10, p. 796 - 797
  作者：Kalyoncuoglu、Rollas、Sur-Altiner、Yegenoglu、Ang

  DOI：——

  日期：——
• Rollas; Kalyoncuoglu; Sur-Altiner, Pharmazie, 1993, vol. 48, # 4, p. 308 - 309
  作者：Rollas、Kalyoncuoglu、Sur-Altiner、Yegenoglu

  DOI：——

  日期：——
• Synthesis of 5-(4-aminophenyl)-2-(arylamino)-1,3,4-thiadiazoles and their schiff base derivatives as antimycobacterial agents
  作者：K. A. Dilmaghani、N. H. Jazani、F. Nasuhi Pur、N. Shokoufeh、F. Ghadiri、F. M. Fakhraee

  DOI：10.1007/s10593-012-0998-y

  日期：2012.5

  The condensation reaction of 5-(4-aminophenyl)-N-aryl-1,3,4-thiadiazol-2-ylamines with salicyl-aldehyde, 3-hydroxybenzaldehyde, 4-hydroxybenzaldehyde, 5-bromosalicylaldehyde, 5-chlorosalicyl-aldehyde, 4-methoxybenzaldehyde, 3-nitrobenzaldehyde, and 4-nitrobenzaldehyde results in series of new Schiff bases. The synthesized compounds were tested for their antimicrobial efficiency against Mycobacterium smegmatis PTCC 1307 in vitro. All compounds showed significant antiproliferative activity against M. smegmatis.