isoquinoline-1-carboxylic acid {6-piperidin-1-ylmethyl-1-[(2-hydroxy-5-oxo-tetrahydrofuran-3-yl-carbamoyl)methyl]-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl}-amide

• 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: isoquinoline-1-carboxylic acid {6-piperidin-1-ylmethyl-1-[(2-hydroxy-5-oxo-tetrahydrofuran-3-yl-carbamoyl)methyl]-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl}-amide
• 英文别名: Isoquinoline-1-carboxylic acid {1-[(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-6-piperidin-1-ylmethyl-2,3,4,7-tetrahydro-1H-azepin-3-yl}-amide；N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-7-oxo-3-(piperidin-1-ylmethyl)-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide
• 化学式: C₂₈H₃₃N₅O₆
• 分子量: 535.6
• InChiKey: YAVAANIOXSTWKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  8