HCID53805891

1-(N-benzyloxycarbamoyl)-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-one

3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-oxo-N-phenylmethoxypyrrolidine-1-carboxamide

C27H34N2O4450.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1cc(C=C2CCN(C(=O)NOCc3ccccc3)C2=O)cc(C(C)(C)C)c1O
InChIKey: FLQZEXBEIPAJAF-UHFFFAOYSA-N
分子式: C27H34N2O4
平均分子量: 450.6 g/mol
单同位素质量: 450.25185757

COMPUTED

结构计算性质

已同步

XLogP: 6.5
极性表面积: 78.9 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 703

ALIASES

名称与别名

共 4 条

SCHEMBL8779650FLQZEXBEIPAJAF-UHFFFAOYSA-N1-(N-benzyloxycarbamoyl)-3-(3,5-di-tert-butyl-4 -hydroxybenzylidene)pyrrolidin-2-one1-(N-benzyloxycarbamoyl)-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin- 2-one

REACTIONS

参与反应

3 条

uspto-grants-1994_06 · 10.6084/m9.figshare.5104873.v1 · US05319100

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uspto-grants-1994_06 · 10.6084/m9.figshare.5104873.v1 · US05319099

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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