HCID136063897

4-(3-hydroxy-1,5-dioxaspiro[5.5]undec-9-yl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

3-[2-[4-[[4-(3-hydroxy-1,5-dioxaspiro[5.5]undecan-9-yl)-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C32H34N6O6598.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCC(O)CO3)c2ncnn12
InChIKey: HDXHMQQATRKICF-UHFFFAOYSA-N
分子式: C32H34N6O6
平均分子量: 598.6 g/mol
单同位素质量: 598.25398283

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 140 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 7
重原子: 44
形式电荷: 0
复杂度: 1,140

ALIASES

名称与别名

共 3 条

SCHEMBL1373302HDXHMQQATRKICF-UHFFFAOYSA-N4-(3-hydroxy-1,5-dioxaspiro[5.5]undec-9-yl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

REACTIONS