7-(diethylamino)-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-2-oxochromene-3-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-(diethylamino)-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
• 化学式: C₂₀H₂₃N₃O₅
• 分子量: 385.4
• InChiKey: XXTOMVWJZMWKHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL COUMARIN DERIVATIVES
  申请人：NAGANO Tetsuo

  公开号：US20090118471A1

  公开（公告）日：2009-05-07

  A compound represented by the following general formula (I) or a salt thereof [R 1 represents hydrogen atom, or a C 1-12 alkyl group; R 2 represents a C 1-12 alkyl group having one or more maleimide groups, an aryl group having two or more maleimide groups, a group represented by the formula (A): —(CH 2 ) n —CO—N(R 11 )(R 12 ) (R 11 and R 12 represent hydrogen atom, a C 1-12 alkyl group, a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and n represents an integer of 1 to 6), or a group represented by the formula (B): —(CH 2 ) m —NH—CO—R 13 (R 13 represents a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and m represents an integer of 1 to 6); R 3 and R 5 represent hydrogen atom, or a halogen atom; R 4 represents hydroxyl group, a C 1-12 acyloxy group, a C 1-12 acyloxymethyloxy group, or an amino group], which is useful as a novel fluorescent labeling agent having a property of emitting intense fluorescence only after reacting with a thiol group.