HCID21919150

N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-methoxyphenyl]benzoyl)-4-methoxyaniline

5-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-N,2-bis(4-methoxyphenyl)benzamide

C31H29NO7527.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC1=C(OC)C(=O)C(Cc2ccc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O
InChIKey: SHYACDQXUTZURE-UHFFFAOYSA-N
分子式: C31H29NO7
平均分子量: 527.6 g/mol
单同位素质量: 527.19440226

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 100 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 39
形式电荷: 0
复杂度: 969

ALIASES

名称与别名

共 4 条

N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-methoxyphenyl]benzoyl)-4-methoxyanilineN-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-methoxyphenyl]benzoyl]-4-methoxyanilineSCHEMBL5862041SHYACDQXUTZURE-UHFFFAOYSA-N

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07122543B2

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