HCID136387981

8-(4-(((5-Fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)octanoic acid methyl ester

methyl 8-[[4-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]benzoyl]amino]octanoate

C25H27FN4O4466.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCCCCCCNC(=O)c1ccc(C=NN=C2C(=O)Nc3ccc(F)cc32)cc1
InChIKey: HNRVHALCOSYRTE-UHFFFAOYSA-N
分子式: C25H27FN4O4
平均分子量: 466.5 g/mol
单同位素质量: 466.20163352

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 109 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 12
重原子: 34
形式电荷: 0
复杂度: 764

ALIASES

名称与别名

共 4 条

SCHEMBL4412997HNRVHALCOSYRTE-UHFFFAOYSA-N8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-octanoic acid methyl ester8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)octanoic acid methyl ester

REACTIONS

参与反应

4 条

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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