2-(7-fluoro-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl carbamimidothioate acetate | 1010117-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(7-fluoro-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl carbamimidothioate acetate
• CAS: 1010117-00-6
• 化学式: C₂H₄O₂*C₁₄H₁₇FN₂OS
• 分子量: 340.419
• InChiKey: ANIGKTAPXBAREO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96.4
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-甲基-1,3-环己二酮 、 2-(7-fluoro-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl carbamimidothioate acetate 以 乙醇 、 水 为溶剂， 反应 70.0h， 以56%的产率得到
  参考文献：
  名称：

  Synthesis and studies of structure and biological properties of D-homoanalogs of steroid estrogens

  摘要：

  In order to estimate the potential of steroid estrogens modification, three D-homoanalogs of estrogens have been prepared; their structures and biological properties have been studied. The expansion of D-ring in such compounds has lead to strong decrease if the uterotropic action, however, the unfavorable hypertriglyceridemic effect has been retained. The latter has been eliminated by combined action of the studied steroids and ursolic acid; therewith the hypocholesterolemic activity has been retained.

  DOI：

  10.1134/s1070363213100125