HCID86649974

N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine

N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

C13H11BrN6OS379.24 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nnnc1C(=NOCc1csc(Br)n1)c1ccccc1
InChIKey: NWWAXJGQMXAMCY-UHFFFAOYSA-N
分子式: C13H11BrN6OS
平均分子量: 379.24 g/mol
单同位素质量: 377.98984

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 106 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 395

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL966546NWWAXJGQMXAMCY-UHFFFAOYSA-NN-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenyl-methanimineN-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine

REACTIONS

参与反应

13 条

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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

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

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08557849B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08557849B2

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

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