HCID21097201

N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(3-methyl-3H-imidazol-4-yl)-pyrazol-1-yl]-benzamide

N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]benzamide

C27H32N6O4S536.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cncn4C)cn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIKey: ZDIBLVQUWLBYHU-UHFFFAOYSA-N
分子式: C27H32N6O4S
平均分子量: 536.6 g/mol
单同位素质量: 536.2205747

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 129 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 922

ALIASES

名称与别名

共 3 条

SCHEMBL303460ZDIBLVQUWLBYHU-UHFFFAOYSA-NN-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(3-methyl-3H-imidazol-4-yl)-pyrazol-1-yl]-benzamide

REACTIONS

参与反应

3 条

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07214802B2

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

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uspto-grants-2009_04 · 10.6084/m9.figshare.5104873.v1 · US07514458B2

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