N-(6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide

• ChemBase编号: 44961
• 分子式: C19H29BrN2O3Si
• 平均质量: 441.43466
• 单一同位素质量: 440.11308133
• SMILES: c1(cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C)Br
• Canonical SMILES: Brc1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H29BrN2O3Si/c1-18(2,3)17(23)22-15-13(20)10-21-14-9-12(25-16(14)15)11-24-26(7,8)19(4,5)6/h9-10H,11H2,1-8H3,(H,21,22,23)
• InChIKey: SEJJQICANHTYPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide
• IUPAC传统名: N-(6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide
• 别名: N-(6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-7-yl)pivalamide; N-(6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-7-yl)pivalamide; N-(6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-7-yl)pivalamide

登记号

• MDL号: MFCD12922787
• PubChem SID: 162049724
• PubChem CID: 46737926

理论计算性质

• Acid pKa: 10.975016
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 5.177838
• LogD (pH = 7.4): 5.177885
• Log P: 5.178
• 摩尔折射率: 105.0999 cm^3
• 极化性: 43.48035 Å^3
• 极化表面积: 64.36 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C19H29BrN2O3Si

详细说明

Sigma Aldrich - ADE001166

Other Notes
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