2-Adamantyl 9,10-dimethyl-5-(methylsulfonylcarbamoyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;2-[[5-(2-adamantyloxycarbonyl)-9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carbonyl]amino]acetic acid;tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Adamantyl 9,10-dimethyl-5-(methylsulfonylcarbamoyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;2-[[5-(2-adamantyloxycarbonyl)-9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carbonyl]amino]acetic acid;tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• 英文别名: 2-adamantyl 9,10-dimethyl-5-(methylsulfonylcarbamoyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;2-[[5-(2-adamantyloxycarbonyl)-9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carbonyl]amino]acetic acid;tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• 化学式: C81H122N2O15S
• 分子量: 1395.9
• InChiKey: JBBLPHCSCMCYNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.38
• 重原子数：
  99
• 可旋转键数：
  18
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  252
• 氢给体数：
  3
• 氢受体数：
  15