(E)-2-(7-trifluoromethyl-2,2-bis(methoxymethyl)chroman-4-ylidene)-N-(2,2-dioxo-3,4-dihydro-1-(oxiran-2-yl)methyl-1H-benzo[2,1]thiazin-5-yl)acetamide | 1042972-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: (E)-2-(7-trifluoromethyl-2,2-bis(methoxymethyl)chroman-4-ylidene)-N-(2,2-dioxo-3,4-dihydro-1-(oxiran-2-yl)methyl-1H-benzo[2,1]thiazin-5-yl)acetamide
• 英文别名: (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-[1-(oxiran-2-ylmethyl)-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazin-5-yl]acetamide；(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-[1-(oxiran-2-ylmethyl)-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl]acetamide
• CAS: 1042972-09-7
• 化学式: C₂₇H₂₉F₃N₂O₇S
• 分子量: 582.598
• InChiKey: JIPJYUDKHPBJEU-LICLKQGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE
  申请人：UCHIDA Hideharu

  公开号：US20100016285A1

  公开（公告）日：2010-01-21

  The blow-described formula (I) [Ch. 1] a compound represented by formula (I) (wherein k, m, n, and p each represent 0 to 2; j and q represents 0 or 1; R 1 represents a halogen atom, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, NH 2 , OH, a carboxyl group, an alkanoyl group, CN, NO 2 , or the like; R 2 represents a halogen atom, an amino group, a hydrocarbon group, an aromatic heterocyclic group, an oxo group, or the like; represents an oxygen atom, —NR 3 —, or —S(O)r- (wherein r is an integer of 0 to 2); X 2 represents a methylene group, an oxygen atom, —NR 3 — (wherein R 3 is a hydrogen atom, a hydrocarbon group, or the like), or S(O)r- (wherein r is an integer of 0 to 2); W represents a methylene group, a carbonyl group, or a sulfonyl group; R 7 represents a hydrogen atom, a hydrocarbon group, a heterocyclic group, or the like; R 8 represents a hydrogen atom, a halogen atom, a hydrocarbon group, a heterocyclic group, the broken line in the ring containing X 1 and X 2 represents a condensation of two rings; cycle moiety represents a five- or six-membered aryl ring or heteroaryl ring; and the solid line and the broken line between L 1 and L 2 are a single bond or double bond, and the wavy line represents an E-isomer or a Z-isomer), a salt thereof, or solvates thereof, and a pharmaceutical composition containing the compound as an active ingredient.

  以下是所描述的公式(I)[Ch. 1]的化合物，由公式(I)表示（其中k、m、n和p各自表示0到2；j和q表示0或1；R1表示卤素原子、碳氢基团、杂环基团、烷氧基、烷氧羰基基团、NH2、OH、羧基、烷酰基、CN、NO2或类似物；R2表示卤素原子、氨基基团、碳氢基团、芳香杂环基团、氧代基团或类似物；表示氧原子、-NR3-或-S（O）r-（其中r为0至2的整数）；X2表示亚甲基基团、氧原子、-NR3-（其中R3为氢原子、碳氢基团或类似物）或S（O）r-（其中r为0至2的整数）；W表示亚甲基基团、羰基基团或磺酰基基团；R7表示氢原子、碳氢基团、杂环基团或类似物；R8表示氢原子、卤素原子、碳氢基团、杂环基团，环中的X1和X2之间的断线表示两个环的缩合；环基表示五元或六元芳基环或杂芳基环；实线和L1和L2之间的断线是单键或双键，波浪线表示E-异构体或Z-异构体），其盐或溶剂化物，以及含有该化合物作为活性成分的药物组成物。