2-丁基-1,6-二氢-4-甲基-6-氧代-1-[[2'-[1-(三苯甲基)-1H-四氮唑-5-基][1,1'-联苯]-4-基]甲基]-5-嘧啶乙酸乙酯 | 503155-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 2-丁基-1,6-二氢-4-甲基-6-氧代-1-[[2'-[1-(三苯甲基)-1H-四氮唑-5-基][1,1'-联苯]-4-基]甲基]-5-嘧啶乙酸乙酯
• 英文名称: 2-n-butyl-5-ethoxycarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-pyrimidine-4(3H)-one
• 英文别名: 2-n-butyl-5-ethoxycarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetraazoleyl)-4-biphenylyl]methyl]-4(3H)pyrimidinone；2-n-butyl-5-ethoxycarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-pyrimidin-4(3H)-one；2-n-butyl-5-ethoxycarbonylmethaneyl-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetraazolyl)-4-biphenylyl]methyl]-4-pyrimidinone；2-n-butyl-5-ethoxycarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetraazolyl)-4-biphenylyl]methyl]-4-pyrimidinone；ethyl 2-(2-butyl-4-Methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)Methyl)-1,6-dihydropyrimidin-5-yl)acetate；ethyl 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]acetate
• CAS: 503155-66-6
• 化学式: C₄₆H₄₄N₆O₃
• 分子量: 728.894
• InChiKey: SPOPXDNHBJGCMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  865.5±75.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  55
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  7