HCID22015561

5-Methyl-3-phenyl-6-(p-bromomethylphenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one

6-[4-(bromomethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C20H15BrN2O2395.2 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(-c2ccc(CBr)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIKey: VNIVDRLSISWMPB-UHFFFAOYSA-N
分子式: C20H15BrN2O2
平均分子量: 395.2 g/mol
单同位素质量: 394.03169

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 46.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 25
形式电荷: 0
复杂度: 524

ALIASES

名称与别名

共 4 条

SCHEMBL5533836VNIVDRLSISWMPB-UHFFFAOYSA-N5-Methyl-3-phenyl-6-(p-bromomethylphenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one6-(4-bromomethyl-phenyl)-5-methyl-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one

REACTIONS

参与反应

5 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087756B2

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

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uspto-grants-1977_09 · 10.6084/m9.figshare.5104873.v1 · US04049813

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uspto-grants-1978_04 · 10.6084/m9.figshare.5104873.v1 · US04086421

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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