HCID59596649

3-(2-Fluoro-4-trimethylsilanyl-phenylamino)-1-(4-methoxy-benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester

methyl 3-(2-fluoro-4-trimethylsilylanilino)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-c]pyridine-2-carboxylate

C26H28FN3O3Si477.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1Cc1ccc(OC)cc1
InChIKey: WEIGJVMZHXEMJQ-UHFFFAOYSA-N
分子式: C26H28FN3O3Si
平均分子量: 477.6 g/mol
单同位素质量: 477.18839646

COMPUTED

结构计算性质

已同步

极性表面积: 65.4 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 8
重原子: 34
形式电荷: 0
复杂度: 685

ALIASES

名称与别名

共 3 条

SCHEMBL1920559WEIGJVMZHXEMJQ-UHFFFAOYSA-N3-(2-Fluoro-4-trimethylsilanyl-phenylamino)-1-(4-methoxy-benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855216B2

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855216B2

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