2-[[2-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]acetyl]amino]acetic acid;2-[5-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]pentyl-ethylamino]acetic acid

• 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: 2-[[2-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]acetyl]amino]acetic acid;2-[5-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]pentyl-ethylamino]acetic acid
• 英文别名: 2-[[2-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-5-yl]phenoxy]acetyl]amino]acetic acid;2-[5-[4-[(5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-5-yl]phenoxy]pentyl-ethylamino]acetic acid
• 化学式: C65H96N4O13S2
• 分子量: 1205.6
• InChiKey: QYTFFDKECMPSBC-ABOLFUDJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.33
• 重原子数：
  84
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  257
• 氢给体数：
  5
• 氢受体数：
  16