5-[2-[4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(3-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[1-phenyl-2-(4-phenylpiperidin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 5-[2-[4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(3-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[1-phenyl-2-(4-phenylpiperidin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
• 英文别名: 5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(3-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[1-phenyl-2-(4-phenylpiperidin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
• 化学式: C91H89BrN20O10S4
• 分子量: 1831.0
• InChiKey: PFINVSZJWINWIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.65
• 重原子数：
  126
• 可旋转键数：
  16
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  480
• 氢给体数：
  11
• 氢受体数：
  23