HCID53471833

5-Methyl-2-(methylsulfonyl)-7-phenylimidazo[5,1-F][1,2,4]triazine

5-methyl-2-methylsulfonyl-7-phenylimidazo[5,1-f][1,2,4]triazine

C13H12N4O2S288.33 g/molCAS 774462-48-5

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IDENTITY

结构与身份

标准SMILES: Cc1nc(-c2ccccc2)n2nc(S(C)(=O)=O)ncc12
InChIKey: IMVPLRUUEANKQO-UHFFFAOYSA-N
分子式: C13H12N4O2S
平均分子量: 288.33 g/mol
单同位素质量: 288.06809681

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 85.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 20
形式电荷: 0
复杂度: 444

ALIASES

名称与别名

共 7 条

774462-48-55-METHYL-2-(METHYLSULFONYL)-7-PHENYLIMIDAZO[5,1-F][1,2,4]TRIAZINE5-methyl-2-methylsulfonyl-7-phenylimidazo[5,1-f][1,2,4]triazineSCHEMBL4124793DTXSID20703768IMVPLRUUEANKQO-UHFFFAOYSA-N2-(Methanesulfonyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazine

REACTIONS

相关反应

24 条

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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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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

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

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