HCID45280338

ethyl {4-[(2'-oxo-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetate

ethyl 2-[4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]phenoxy]acetate

C28H25NO7487.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)COc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cc1
InChIKey: NXXKUZUYCHDIGJ-UHFFFAOYSA-N
分子式: C28H25NO7
平均分子量: 487.5 g/mol
单同位素质量: 487.16310214

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 83.5 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 7
重原子: 36
形式电荷: 0
复杂度: 814

ALIASES

名称与别名

共 3 条

SCHEMBL10185999NXXKUZUYCHDIGJ-UHFFFAOYSA-Nethyl {4-[(2'-oxo-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetate

REACTIONS

参与反应

4 条

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101647B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101647B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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

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