2-[4-[2-[2,2-dioxo-3-[[7-oxo-2-prop-2-enoxycarbonyl-6-[(1S)-1-prop-2-enoxycarbonyloxyethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanimidate;trifluoromethanesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[4-[2-[2,2-dioxo-3-[[7-oxo-2-prop-2-enoxycarbonyl-6-[(1S)-1-prop-2-enoxycarbonyloxyethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanimidate;trifluoromethanesulfonate
• 英文别名: 2-[4-[2-[2,2-dioxo-3-[[7-oxo-2-prop-2-enoxycarbonyl-6-[(1S)-1-prop-2-enoxycarbonyloxyethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanimidate;trifluoromethanesulfonate
• 化学式: C37H42F3N5O12S3
• 分子量: 902.0
• InChiKey: IIZWEXSILOHGBR-BJQZBARDSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  60
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  266
• 氢给体数：
  1
• 氢受体数：
  18