N-(((8R,9R)-11-((2S)-1-(dimethylamino)propan-2-yl)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide | 1403479-43-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: N-(((8R,9R)-11-((2S)-1-(dimethylamino)propan-2-yl)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide
• 英文别名: N-(((8R,9R)-11-((S)-1-(dimethylamino)propan-2-yl)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-9-methyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide；1-[(9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-10-methyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• CAS: 1403479-43-5
• 化学式: C₃₅H₄₉FN₆O₇S
• 分子量: 716.874
• InChiKey: ZUVGMAYFYWUJBC-FXZPAHAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  50
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  11