HCID18940666

5-Bromo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]furan-3-carboxamide

5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide

C17H20BrN3O3394.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(NC(=O)c2coc(Br)c2)cc1N1CCN(C)CC1
InChIKey: SUCISRWTOJCAGF-UHFFFAOYSA-N
分子式: C17H20BrN3O3
平均分子量: 394.3 g/mol
单同位素质量: 393.0688

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 58 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 431

ALIASES

名称与别名

共 4 条

SCHEMBL8303705SUCISRWTOJCAGF-UHFFFAOYSA-N5-Bromo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]furan-3-carboxamide5-bromo-N-[4-methoxy-3-(4-methyl- 1-piperazinyl)phenyl]furan-3-carboxamide

REACTIONS

参与反应

4 条

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

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834471

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834471

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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