HCID66835004

tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)benzofuran-3-carboxylate

tert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1-benzofuran-3-carboxylate

C25H26INO3515.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1ccc(C(C)(C)c2oc3cc(C#N)ccc3c2C(=O)OC(C)(C)C)cc1I
InChIKey: KWJYHUSUOQAACZ-UHFFFAOYSA-N
分子式: C25H26INO3
平均分子量: 515.4 g/mol
单同位素质量: 515.09574

COMPUTED

结构计算性质

已同步

XLogP: 7.2
极性表面积: 63.2 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 30
形式电荷: 0
复杂度: 676

ALIASES

名称与别名

共 7 条

1256585-29-1tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)benzofuran-3-carboxylatetert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1-benzofuran-3-carboxylateSCHEMBL898287KWJYHUSUOQAACZ-UHFFFAOYSA-NDB-1306816-Cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methyl-ethyl]-benzofuran-3-carboxylic acid tert-butyl ester

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126931B2

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