HCID66620822

4-Cyano-2-{5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-cyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

C25H33BN4O4464.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CC(C#N)CC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1
InChIKey: CCWAOZBIFWCWKI-UHFFFAOYSA-N
分子式: C25H33BN4O4
平均分子量: 464.4 g/mol
单同位素质量: 464.2594857

COMPUTED

结构计算性质

已同步

极性表面积: 100 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 795

ALIASES

名称与别名

共 3 条

SCHEMBL204924CCWAOZBIFWCWKI-UHFFFAOYSA-N4-Cyano-2-{5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester

REACTIONS