HCID52950540

1H-Tetrazole, 5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-1-[(4-methoxyphenyl)methyl]-

5-[2-[4-(bromomethyl)phenyl]phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole

C22H19BrN4O435.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cn2nnnc2-c2ccccc2-c2ccc(CBr)cc2)cc1
InChIKey: LJWCNWVVUWJHNW-UHFFFAOYSA-N
分子式: C22H19BrN4O
平均分子量: 435.3 g/mol
单同位素质量: 434.07422

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 52.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 28
形式电荷: 0
复杂度: 465

ALIASES

名称与别名

共 6 条

1H-Tetrazole, 5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-1-[(4-methoxyphenyl)methyl]-1307853-40-25-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazoleSCHEMBL12098938LJWCNWVVUWJHNW-UHFFFAOYSA-N5-[4'-(bromomethyl)biphenyl-2-yl]-1-(p-methoxybenzyl)-1H-tetrazole

REACTIONS

参与反应

2 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530506B2

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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