3-{2-methyl-4-[2-(4-trifluoromethyl-phenyl)-5,6-dihydro-4H-cyclopentathiazol-4-ylmethylsulfanyl]-phenyl}propionic acid | 729590-77-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-{2-methyl-4-[2-(4-trifluoromethyl-phenyl)-5,6-dihydro-4H-cyclopentathiazol-4-ylmethylsulfanyl]-phenyl}propionic acid
• 英文别名: 3-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl]methylsulfanyl]phenyl]propanoic acid
• CAS: 729590-77-6
• 化学式: C₂₄H₂₂F₃NO₂S₂
• 分子量: 477.571
• InChiKey: MASRIAZPJQZFBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS
  申请人：Conner Scott Eugene

  公开号：US20090054479A1

  公开（公告）日：2009-02-26

  The present invention is directed to compounds represented by the following structural formula, Formula I: wherein: (a) X is selected from the group consisting of a single bond, O, S, S(O) 2 and N; (b) U is an aliphatic linker; (c) Y is selected from the group consisting of C, O, S, NH and a single bond; (d) E is C(R3)(R4)A or A and wherein (i) A is selected from the group consisting of carboxyl, tetrazole, C 1 -C 6 alkylnitrile, carboxamide, sulfonamide and acylsulfonamide; (e) B is selected from the group consisting of S, O, C, and N; (f) Z is selected from the group consisting of N and C; with the proviso that when B is C then Z is N.
• US7384965B2
  申请人：——

  公开号：US7384965B2

  公开（公告）日：2008-06-10
• US7598266B2
  申请人：——

  公开号：US7598266B2

  公开（公告）日：2009-10-06