HCID178459026

4-(1-Hydroxy-1-methylethyl)-2-isopropoxymethyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid

5-(2-hydroxypropan-2-yl)-2-(propan-2-yloxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

C25H28N6O4476.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)OCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChIKey: KJWPZJJCJPKCRX-UHFFFAOYSA-N
分子式: C25H28N6O4
平均分子量: 476.5 g/mol
单同位素质量: 476.2172034

COMPUTED

结构计算性质

等待补全

XLogP: 2.5
极性表面积: 139 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 9
重原子: 35
形式电荷: 0
复杂度: 701

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL7886561KJWPZJJCJPKCRX-UHFFFAOYSA-N4-(1-Hydroxy-1-methylethyl)-2-isopropoxymethyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid

REACTIONS

相关反应

3 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616599

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646171

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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