HCID68444855

5-Bromo-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester

methyl 5-bromo-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate

C18H15BrN2O4403.2 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cnc(OCc2c(-c3ccccc3)noc2C)c(Br)c1
InChIKey: WNWQPLIGYGALGJ-UHFFFAOYSA-N
分子式: C18H15BrN2O4
平均分子量: 403.2 g/mol
单同位素质量: 402.02152

COMPUTED

结构计算性质

等待补全

XLogP: 3.7
极性表面积: 74.5 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 25
形式电荷: 0
复杂度: 447

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

SCHEMBL2929665CHEMBL3676514WNWQPLIGYGALGJ-UHFFFAOYSA-NBDBM133379US8846719, 645-Bromo-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester

REACTIONS

参与反应

6 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846719B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877782B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877783B2

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

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09073908B2

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518974B2

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