HCID136373627

4-amino-6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin-5(4H)-one

4-amino-6-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin-5-one

C14H10N4O4S2362.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2sccc21
InChIKey: MEESOFLQAUXBLB-UHFFFAOYSA-N
分子式: C14H10N4O4S2
平均分子量: 362.4 g/mol
单同位素质量: 362.01434716

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 162 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 1
重原子: 24
形式电荷: 0
复杂度: 742

ALIASES

名称与别名

共 4 条

SCHEMBL1522167MEESOFLQAUXBLB-UHFFFAOYSA-N4-amino-6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin 5(4H)-one4-amino-6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin-5(4H)-one

REACTIONS

参与反应

60 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 (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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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