HCID178441241

1,1-Dimethylethyl [3-butyl-6,7-dihydro-5-[2'-(1H-tetrazol-5-yl) [1,1'-biphenyl]-4-yl]imidazo[1,2-a]pyridin-8(5H)-ylidene]acetate

tert-butyl 2-[3-butyl-5-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ylidene]acetate

C30H34N6O2510.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCc1cnc2n1C(c1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CCC2=CC(=O)OC(C)(C)C
InChIKey: JXUNIQIWYYRHEO-UHFFFAOYSA-N
分子式: C30H34N6O2
平均分子量: 510.6 g/mol
单同位素质量: 510.27432435

COMPUTED

结构计算性质

已同步

XLogP: 5.5
极性表面积: 98.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 38
形式电荷: 0
复杂度: 820

ALIASES

名称与别名

共 4 条

SCHEMBL7410390JXUNIQIWYYRHEO-UHFFFAOYSA-N1,1-Dimethylethyl [3-butyl-6,7-dihydro-5-[2'-(1H-tetrazol-5-yl) [1,1'-biphenyl]-4-yl]imidazo[1,2-a]pyridin-8(5H)-ylidene]acetate1,1-Dimethylethyl [3-butyl-6,7-dihydro-5-[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]imidazo[1,2-a]pyridin-8(5H)-ylidene]acetate

REACTIONS

参与反应

2 条

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05426105

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uspto-grants-1997_10 · 10.6084/m9.figshare.5104873.v1 · US05674879

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