8-methoxy-10a-(4-methoxyphenyl)benzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one | 1383434-49-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 8-methoxy-10a-(4-methoxyphenyl)benzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one
• 英文别名: 8-Methoxy-10a-(4-methoxyphenyl)indeno[2,1-b][1,4]benzothiazin-11-one
• CAS: 1383434-49-8
• 化学式: C₂₃H₁₇NO₃S
• 分子量: 387.459
• InChiKey: WYMZEXGCYFBJFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  茴茚二酮 在 溴 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 8-methoxy-10a-(4-methoxyphenyl)benzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one
  参考文献：
  名称：

  Synthesis, characterization, antimicrobial activities and QSAR studies of some 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones

  摘要：

  A series of 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones (3) has been synthesized and tested for their antimicrobial activity. The antimicrobial evaluation data indicated that compounds, 3b, 3d, 3k and 3m exhibited very promising antibacterial activity and the compounds 3b and 3k exhibited notable activity, almost comparable to penicillin for Staphylococcus aureus and Bacillus subtilis respectively. The derivatives 3g and 31 exhibited high antifungal activity. Moreover, antibacterial activities were more prolific than antifungal activity. The QSAR studies indicated the importance of topological parameters, Kiers second order molecular index (kappa alpha(2)) and molecular connectivity index (chi) in describing the antibacterial activity and electronic parameters, the energy of highest occupied molecular orbital (HOMO) and the dipole moment (mu) in describing the antifungal activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.03.054

文献信息

• Synthesis, characterization, antimicrobial activities and QSAR studies of some 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones
  作者：Satbir Mor、Preeti Pahal、Balasubramanian Narasimhan

  DOI：10.1016/j.ejmech.2012.03.054

  日期：2012.7

  A series of 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones (3) has been synthesized and tested for their antimicrobial activity. The antimicrobial evaluation data indicated that compounds, 3b, 3d, 3k and 3m exhibited very promising antibacterial activity and the compounds 3b and 3k exhibited notable activity, almost comparable to penicillin for Staphylococcus aureus and Bacillus subtilis respectively. The derivatives 3g and 31 exhibited high antifungal activity. Moreover, antibacterial activities were more prolific than antifungal activity. The QSAR studies indicated the importance of topological parameters, Kiers second order molecular index (kappa alpha(2)) and molecular connectivity index (chi) in describing the antibacterial activity and electronic parameters, the energy of highest occupied molecular orbital (HOMO) and the dipole moment (mu) in describing the antifungal activity. (C) 2012 Elsevier Masson SAS. All rights reserved.