2-Butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-ethyl-5-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-one;6-ethyl-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one;5-(2-methoxyethyl)-6-methyl-3-(2-methyl-4-thiomorpholin-4-ylphenyl)imino-2-pentylpyrazolo[1,5-a]pyrimidin-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 2-Butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-ethyl-5-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-one;6-ethyl-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one;5-(2-methoxyethyl)-6-methyl-3-(2-methyl-4-thiomorpholin-4-ylphenyl)imino-2-pentylpyrazolo[1,5-a]pyrimidin-7-one
• 英文别名: 2-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-ethyl-5-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-one;6-ethyl-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one;5-(2-methoxyethyl)-6-methyl-3-(2-methyl-4-thiomorpholin-4-ylphenyl)imino-2-pentylpyrazolo[1,5-a]pyrimidin-7-one
• 化学式: C74H101N15O6S
• 分子量: 1328.8
• InChiKey: XLOQZLWKCYUQHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.45
• 重原子数：
  96
• 可旋转键数：
  27
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  235
• 氢给体数：
  0
• 氢受体数：
  19