HCID19689526

N-[6-[2-{6-(4-tert-butylphenylsulfonylamino)-5-(4-methylphenyl)pyrimidin-4-yloxy}ethoxy]pyridin-3-yl]-acetamide

N-[6-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(4-methylphenyl)pyrimidin-4-yl]oxyethoxy]-3-pyridinyl]acetamide

C30H33N5O5S575.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1ccc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1
InChIKey: AECMDUJWZJTQHJ-UHFFFAOYSA-N
分子式: C30H33N5O5S
平均分子量: 575.7 g/mol
单同位素质量: 575.22024034

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 141 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 11
重原子: 41
形式电荷: 0
复杂度: 923

ALIASES

名称与别名

共 4 条

SCHEMBL8802230AECMDUJWZJTQHJ-UHFFFAOYSA-NN-[6-[2-{6-(4-tert-butylphenylsulfonylamino)-5-(4-methylphenyl)pyrimidin-4-yloxy}ethoxy]pyridin-3-yl]-acetamideN-[6-[2-{6-(4-tert-butylphenylsulfonylamino)-5-(4-methylphenyl)pyrimidin-4-yloxy}ethoxy]pyridin-3-yl]acetamide

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728706

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05589478

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

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