5-[2-(Azepan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-[2-(Azepan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
• 英文别名: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
• 化学式: C91H96N22O13S4
• 分子量: 1834.1
• InChiKey: UVGQOHRIKWHHGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.51
• 重原子数：
  130
• 可旋转键数：
  19
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  543
• 氢给体数：
  11
• 氢受体数：
  27