HCID58679224

4-(2-Tert-butyl-4-nitrothiophene-5-carbonyl)-1-(2-(dimethylamino)ethyl)-3,3-dimethylpiperazin-2-one

4-(5-tert-butyl-3-nitrothiophene-2-carbonyl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylpiperazin-2-one

C19H30N4O4S410.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)CCN1CCN(C(=O)c2sc(C(C)(C)C)cc2[N+](=O)[O-])C(C)(C)C1=O
InChIKey: UDWGQZRMQWAPOW-UHFFFAOYSA-N
分子式: C19H30N4O4S
平均分子量: 410.5 g/mol
单同位素质量: 410.19877662

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 118 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 626

ALIASES

名称与别名

共 4 条

SCHEMBL3545270UDWGQZRMQWAPOW-UHFFFAOYSA-N4-(2-tert-butyl-4-nitrothiophene-5-carbonyl)-1-(2-(dimethylamino)ethyl)-3,3-dimethyl-piperazin-2-one4-(2-tert-butyl-4-nitrothiophene-5-carbonyl)-1-(2-(dimethylamino)ethyl)-3,3-dimethylpiperazin-2-one

REACTIONS

参与反应

4 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741479B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741479B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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