(1S,2R,4aS,5S,8R,8aR)-2-(acetyloxy)-5-{2-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-1-methylethyl}-8a-hydroxy-3,8-dimethyl-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 | 745063-88-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R,4aS,5S,8R,8aR)-2-(acetyloxy)-5-{2-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-1-methylethyl}-8a-hydroxy-3,8-dimethyl-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-5-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]propan-2-yl]-8a-hydroxy-3,8-dimethyl-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: 745063-88-1
• 化学式: C₃₉H₅₀ClN₃O₉
• 分子量: 740.294
• InChiKey: SBMYMCYDLFCKOL-DDRJFZONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  139
• 氢给体数：
  3
• 氢受体数：
  12