HCID67009699

4'-{1-[4-(1,4-Dioxaspiro[4.5]dec-8-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl}biphenyl-2-carbonitrile

2-[4-[1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]phenyl]benzonitrile

C31H33N5O3523.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCc1c(C(C)c2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2ncnn12
InChIKey: LSJRNXUANRSCBD-UHFFFAOYSA-N
分子式: C31H33N5O3
平均分子量: 523.6 g/mol
单同位素质量: 523.25833993

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 93.3 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 39
形式电荷: 0
复杂度: 966

ALIASES

名称与别名

共 3 条

SCHEMBL1372901LSJRNXUANRSCBD-UHFFFAOYSA-N4'-{1-[4-(1,4-dioxaspiro[4.5]dec-8-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl}biphenyl-2-carbonitrile

REACTIONS