HCID178497993

Methyl 4-(1-hydroxy-1-methylethyl)-2-(1-methoxyethyl)-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

methyl 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C25H28N6O4476.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1c(C(C)(C)O)nc(C(C)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChIKey: BGIZDQIGECVYSU-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

已同步

XLogP: 2.5
极性表面积: 128 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 9
重原子: 35
形式电荷: 0
复杂度: 703

ALIASES

名称与别名

共 3 条

SCHEMBL7885408BGIZDQIGECVYSU-UHFFFAOYSA-NMethyl 4-(1-hydroxy-1-methylethyl)-2-(1-methoxyethyl)-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID265141

uspto-grants-1997_07

作为反应物

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

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HRID298172

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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