HCID58754835

4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid (4-carbamoyl-2-cyclohex-1-enyl-phenyl)-amide

N-[4-carbamoyl-2-(cyclohexen-1-yl)phenyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

C24H31N5O3Si465.6 g/mol

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IDENTITY

结构与身份

标准SMILES: C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(C(N)=O)cc1C1=CCCCC1
InChIKey: CTAJLOXFFMCMKY-UHFFFAOYSA-N
分子式: C24H31N5O3Si
平均分子量: 465.6 g/mol
单同位素质量: 465.2196164

COMPUTED

结构计算性质

已同步

极性表面积: 123 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 9
重原子: 33
形式电荷: 0
复杂度: 787

ALIASES

名称与别名

共 3 条

SCHEMBL13147836CTAJLOXFFMCMKY-UHFFFAOYSA-N4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid (4-carbamoyl-2-cyclohex-1-enyl-phenyl)-amide

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

HRID87928

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID1711245

uspto-grants-2010_09

作为反应物

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790724B2

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