HCID66620440

(1R,3S,4S)-3-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester

tert-butyl 3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

C24H34BN3O4439.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1C2CCC(C2)C1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1
InChIKey: MYPUONINDNZBTH-UHFFFAOYSA-N
分子式: C24H34BN3O4
平均分子量: 439.4 g/mol
单同位素质量: 439.2642367

COMPUTED

结构计算性质

已同步

极性表面积: 76.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 32
形式电荷: 0
复杂度: 738

ALIASES

名称与别名

共 10 条

tert-Butyl 3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate2055341-10-9(1R,3S,4S)-3-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl esterSCHEMBL204047MYPUONINDNZBTH-UHFFFAOYSA-N(1R,3S,4S)-2-tert-butyl-3-(6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[D]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylateSB181583-[6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzoimidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl estertert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylatetert-butyl 3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

REACTIONS