6-Methyl-1-methylthio-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[3,4-d]azepine | 133152-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 6-Methyl-1-methylthio-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[3,4-d]azepine
• 英文别名: 6-Methyl-1-methylsulfanyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine
• CAS: 133152-24-6
• 化学式: C₁₆H₁₉NS₂
• 分子量: 289.466
• InChiKey: XBJZKHZFOYWDAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Thieno[3,4-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0398504A1

  公开（公告）日：1990-11-22

  Pharmaceutical compounds having the formula in which R¹ is hydrogen, hydroxy, nitro, cyano, halo, amino, acetamido, hydroxy-C₁₋₄ alkyl, carboxaldehydo, C₁₋₄ alkyl-­carbonyl, carboxy, C₁₋₄ alkoxy-carbonyl, C₁₋₄ alkyl, C₁₋₄ alkoxy, C₁₋₄ alkylthio, C₁₋₄ alkylsulphonyl or C₁₋₄ alkoxy-C₁₋₄ alkyl, R² is hydrogen or halo, R³ is optionally substituted phenyl or optionally substituted phenyl ortho condensed with an optionally substituted ring selected from benzene, cyclohexane, cyclohexene, cyclopentane or cyclopentene, in which ring one of the carbon atoms may be replaced by oxygen, sulphur or nitrogen, and R⁴ is hydrogen, C₁₋₄ alkyl, C₂₋₄ alkenyl or optionally sub­stituted benzyl; and salts thereof.

  药物化合物，其化学式为 其中 R¹ 是氢、羟基、硝基、氰基、卤代、氨基、乙酰胺基、羟基-C₁₋₄烷基、羧基、C₁₋₄烷基-羰基、羧基、C₁₋₄ 烷氧基-羰基、C₁₋₄ 烷基、C₁₋₄ 烷氧基、C₁₋₄ 烷硫基、C₁₋₄ 烷磺酰基或 C₁₋₄ 烷氧基-C₁₋₄ 烷基，R² 是氢或卤素、R³ 是任选取代的苯基或任选取代的苯基与选自苯、环己烷、环己烯、环戊烷或环戊烯的任选取代的环缩合，其中环的一个碳原子可被氧、硫或氮取代，R⁴ 是氢、C₁₋₄ 烷基、C₂₋₄ 烯基或任选取代的苄基；及其盐类。
• US5028602A
  申请人：——

  公开号：US5028602A

  公开（公告）日：1991-07-02