Benzyl 3-[6-amino-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;benzyl 3-[6-(diethylamino)-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;3-[4-(1-carboxypropan-2-yl)-6-(diethylamino)-6-methyl-1,4-diazepan-1-yl]butanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzyl 3-[6-amino-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;benzyl 3-[6-(diethylamino)-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;3-[4-(1-carboxypropan-2-yl)-6-(diethylamino)-6-methyl-1,4-diazepan-1-yl]butanoic acid
• 英文别名: benzyl 3-[6-amino-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;benzyl 3-[6-(diethylamino)-6-methyl-4-(4-oxo-4-phenylmethoxybutan-2-yl)-1,4-diazepan-1-yl]butanoate;3-[4-(1-carboxypropan-2-yl)-6-(diethylamino)-6-methyl-1,4-diazepan-1-yl]butanoic acid
• 化学式: C78H121N9O12
• 分子量: 1376.8
• InChiKey: MAPZKTJJFIZEKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.54
• 重原子数：
  99
• 可旋转键数：
  36
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  232
• 氢给体数：
  3
• 氢受体数：
  21