HCID136063877

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

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

C29H28N6O5540.6 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(C2CCOC(=O)CC2)c2ncnn12
InChIKey: QEFDVVLQMRZAAR-UHFFFAOYSA-N
分子式: C29H28N6O5
平均分子量: 540.6 g/mol
单同位素质量: 540.21211801

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 128 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 7
重原子: 40
形式电荷: 0
复杂度: 1,050

ALIASES

名称与别名

共 3 条

SCHEMBL1374602QEFDVVLQMRZAAR-UHFFFAOYSA-N6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-4-(7-oxooxepan-4-yl)-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

REACTIONS