(1S,2R,4aS,5S,8R,8aR)-2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-[1-methyl-2-(2-methyl-4-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)ethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a,5,9b-hexahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate | 745065-46-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (1S,2R,4aS,5S,8R,8aR)-2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-[1-methyl-2-(2-methyl-4-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)ethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a,5,9b-hexahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
• 英文别名: [(1S,2R,4aS,5S,8R,8aR)-2-acetyloxy-8a-hydroxy-3,8-dimethyl-5-[1-(2-methyl-4-piperidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,9bR)-6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
• CAS: 745065-46-7
• 化学式: C₄₂H₅₇ClN₆O₇
• 分子量: 793.404
• InChiKey: QAYFGGXHUIZOMP-JZVQJWAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  56
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  13