HCID136063864

6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

3-[2-[4-[[4-[1-(oxan-4-yl)piperidin-4-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

C33H37N7O4595.7 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(C2CCN(C3CCOCC3)CC2)c2ncnn12
InChIKey: QQVPREWFOMIMOU-UHFFFAOYSA-N
分子式: C33H37N7O4
平均分子量: 595.7 g/mol
单同位素质量: 595.29070269

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 114 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 8
重原子: 44
形式电荷: 0
复杂度: 1,110

ALIASES

名称与别名

共 3 条

SCHEMBL1370201QQVPREWFOMIMOU-UHFFFAOYSA-N6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

REACTIONS