HCID22097043

1-(6,7-Dichloro-2,3-dimethoxyquinoxalin-5-yl)-3-butenyl methyl sulphone

6,7-dichloro-2,3-dimethoxy-5-(1-methylsulfonylbut-3-enyl)quinoxaline

C15H16Cl2N2O4S391.3 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCC(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)S(C)(=O)=O
InChIKey: JDAUMPQAWLHPHY-UHFFFAOYSA-N
分子式: C15H16Cl2N2O4S
平均分子量: 391.3 g/mol
单同位素质量: 390.0207836

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 86.8 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 24
形式电荷: 0
复杂度: 542

ALIASES

名称与别名

共 4 条

SCHEMBL7473767JDAUMPQAWLHPHY-UHFFFAOYSA-N1-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-3-butenyl methyl sulphone1-(6,7-dichloro-2,3-dimethyoxyquinoxalin-5-yl)-3-butenyl methyl sulphone

REACTIONS

参与反应

6 条

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

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05852016

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05852016

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05852016

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05852016

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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