HCID54459343

2-(4-(4-Hydroxy-1-butenyl)phenyl)-5-decyloxypyrimidine

4-[4-(5-decoxypyrimidin-2-yl)phenyl]but-3-en-1-ol

C24H34N2O2382.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCCOc1cnc(-c2ccc(C=CCCO)cc2)nc1
InChIKey: XAMUNZHMKOSBJV-UHFFFAOYSA-N
分子式: C24H34N2O2
平均分子量: 382.5 g/mol
单同位素质量: 382.26202833

COMPUTED

结构计算性质

已同步

XLogP: 6.6
极性表面积: 55.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 14
重原子: 28
形式电荷: 0
复杂度: 386

ALIASES

名称与别名

共 4 条

SCHEMBL7864484XAMUNZHMKOSBJV-UHFFFAOYSA-N2-(4-(4-hydroxy-1-butenyl)phenyl)-5-decyloxypyrimidine2-(4-(4-hydroxy-1-butenyl) phenyl)-5-decyloxypyrimidine

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723610

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1996_07 · 10.6084/m9.figshare.5104873.v1 · US05539115

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