HCID25134330

4-tert-butyl-N-[4-chloro-2-(4-methanesulfonyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[4,5-b]pyridin-1-yl)-phenyl]-benzenesulfonamide

4-tert-butyl-N-[4-chloro-2-(4-methylsulfonyl-6,7-dihydro-5H-triazolo[4,5-b]pyridin-1-yl)phenyl]benzenesulfonamide

C22H26ClN5O4S2524.1 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2nnc3c2CCCN3S(C)(=O)=O)cc1
InChIKey: GNMAAIFGWZAJNG-UHFFFAOYSA-N
分子式: C22H26ClN5O4S2
平均分子量: 524.1 g/mol
单同位素质量: 523.1114744

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 131 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 34
形式电荷: 0
复杂度: 922

ALIASES

名称与别名

共 3 条

SCHEMBL2979317GNMAAIFGWZAJNG-UHFFFAOYSA-N4-tert-butyl-N-[4-chloro-2-(4-methanesulfonyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[4,5-b]pyridin-1-yl)-phenyl]-benzenesulfonamide

REACTIONS

参与反应

4 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835468B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198309B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07776877B2

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09409909B2

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