4-fluoro-N-(((2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-14-(3-isopropylureudo)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-N-methylbenzenesulfonamide | 1255386-91-4

• 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: 4-fluoro-N-(((2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-14-(3-isopropylureudo)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-N-methylbenzenesulfonamide
• 英文别名: 1-[(2S,8R,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-14-yl]-3-(propan-2-yl)urea；1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methyl-amino]methyl]-12-[(1S)-2-hydroxy-1-methyl-ethyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-16-yl]-3-isopropyl-urea；1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
• CAS: 1255386-91-4
• 化学式: C₃₂H₄₇FN₄O₇S
• 分子量: 650.812
• InChiKey: CJGWIIATLFFKQR-QAAVFVPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  9