N-[{4'-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl]biphenyl-4-yl}(RS)(methyl)oxido-λ⁶-sulphanylidene]-4-methylbenzene sulphonamide | 1262108-45-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: N-[{4'-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-11-yl]biphenyl-4-yl}(RS)(methyl)oxido-λ⁶-sulphanylidene]-4-methylbenzene sulphonamide
• 英文别名: N-[[4-[4-[(5'R,8'S,11'R,13'S,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11'-yl]phenyl]phenyl]-methyl-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide；N-[[4-[4-[(5'R,8'S,11'R,13'S,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11'-yl]phenyl]phenyl]-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
• CAS: 1262108-45-1
• 化学式: C₄₅H₅₂F₅NO₇S₂
• 分子量: 878.034
• InChiKey: BDGADKVCELPTCP-KRSUUGQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  13