HCID136063725

4-[4-hydroxy-4-(tetrahydro-2H-pyran-4-yl)cyclohexyl]-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-[4-hydroxy-4-(oxan-4-yl)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C34H38N6O5610.7 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(C2CCC(O)(C3CCOCC3)CC2)c2ncnn12
InChIKey: DLCUAUIIOWJGFM-UHFFFAOYSA-N
分子式: C34H38N6O5
平均分子量: 610.7 g/mol
单同位素质量: 610.29036833

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 131 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 8
重原子: 45
形式电荷: 0
复杂度: 1,150

ALIASES

名称与别名

共 3 条

SCHEMBL1374115DLCUAUIIOWJGFM-UHFFFAOYSA-N4-[4-hydroxy-4-(tetrahydro-2H-pyran-4-yl)cyclohexyl]-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