N-benzo[1,3]dioxol-5-yl-2-(2-methyl-2-octyl-5-oxo-2,5-dihydro-thiophen-3-yloxy)-acetamide | 1198410-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-benzo[1,3]dioxol-5-yl-2-(2-methyl-2-octyl-5-oxo-2,5-dihydro-thiophen-3-yloxy)-acetamide
• 英文别名: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-2-octyl-5-oxothiophen-3-yl)oxyacetamide
• CAS: 1198410-39-7
• 化学式: C₂₂H₂₉NO₅S
• 分子量: 419.542
• InChiKey: RSTYLVLQCNPYIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  99.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME<br/>[FR] NOUVEAUX COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI, ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：FASGEN INC

  公开号：WO2009149066A1

  公开（公告）日：2009-12-10

  The class compounds of the present invention may be represented by Formula (I), wherein X may be O, S, or N. R1 and R2 are independently either H, C1-C20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl. R3 and R4 are independently either H, an aryl group, a heteroaryl group, and a heterocyclic ring group having 4 to 6 carbon atoms, wherein the aryl, heteroaryl, and heterocyclic moieties are optionally substituted with one or more of a first substitution group defined herein. In a further embodiment, R3 and R4 along with the atoms and bonds to which they are attached, form an optionally substituted 5-7 membered ring having at least one nitrogen atom within the ring structure.

  本发明的类化合物可以由公式(I)表示，其中X可以是O，S或N。 R1和R2独立地是H，C1-C20烷基，环烷基，烯基，芳基，芳烷基或烷基芳基。 R3和R4独立地是H，芳基，杂芳基和具有4至6个碳原子的杂环环组，其中芳基，杂芳基和杂环部分可被选自本发明定义的一个或多个第一取代基所取代。 在一个更进一步的实施例中，R3和R4以及它们所连接的原子和键形成具有至少一个氮原子的5-7成员环，该环结构内至少有一个氮原子。
• NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME
  申请人：Townsend Craig A.

  公开号：US20110288052A1

  公开（公告）日：2011-11-24

  The class compounds of the present invention may be represented by Formula (I), wherein X may be O, S, or N. R 1 and R 2 are independently either H, C 1 -C 20 alkyl, cycloalkyl, alkenyl, aryl, arylalkyl, or alkylaryl. R 3 and R 4 are independently either H, an aryl group, a heteroaryl group, and a heterocyclic ring group having 4 to 6 carbon atoms, wherein the aryl, heteroaryl, and heterocyclic moieties are optionally substituted with one or more of a first substitution group defined herein. In a further embodiment, R 3 and R 4 along with the atoms and bonds to which they are attached, form an optionally substituted 5-7 membered ring having at least one nitrogen atom within the ring structure.

  本发明的类化合物可以由式（I）表示，其中X可以是O，S或N。R1和R2分别是H，C1-C20烷基，环烷基，烯基，芳基，芳基烷基或烷基芳基。R3和R4分别是H，芳基，杂芳基和具有4到6个碳原子的杂环环基，其中芳基，杂芳基和杂环基团可以选择地用本文中定义的第一取代基之一或多个取代。在另一实施例中，R3和R4连同它们附着的原子和键形成一个可选的取代的5-7成员环，环结构中至少有一个氮原子。