HCID11852566

4-{6-[3-(4-tert-Butyl-benzoylamino)-2-methyl-phenyl]-4-methyl-3-oxo-3,4-dihydro-pyrazin-2-ylamino}-benzoic acid ethyl ester

ethyl 4-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzoate

C32H34N4O4538.6 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1
InChIKey: CNVCHUIPYQEIBD-UHFFFAOYSA-N
分子式: C32H34N4O4
平均分子量: 538.6 g/mol
单同位素质量: 538.25800558

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 100 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 9
重原子: 40
形式电荷: 0
复杂度: 983

ALIASES

名称与别名

共 3 条

SCHEMBL1068931CNVCHUIPYQEIBD-UHFFFAOYSA-N4-{6-[3-(4-tert-Butyl-benzoylamino)-2-methyl-phenyl]-4-methyl-3-oxo-3,4-dihydro-pyrazin-2-ylamino}-benzoic acid ethyl ester

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947835B2

查看

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947835B2

查看

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

查看