HCID57749145

Tert-butyl {4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate

tert-butyl N-[4-methyl-3-[(6-nitro-3-pyridinyl)oxy]phenyl]carbamate

C17H19N3O5345.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])nc1
InChIKey: MXGVVLQFXLARDT-UHFFFAOYSA-N
分子式: C17H19N3O5
平均分子量: 345.3 g/mol
单同位素质量: 345.13247072

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 106 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 474

ALIASES

名称与别名

共 4 条

SCHEMBL13636098MXGVVLQFXLARDT-UHFFFAOYSA-Ntert-butyl {4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamatetert-butyl{4-methyl-3-[(6-nitropyridin-3-yl)oxy]phenyl}carbamate

REACTIONS

参与反应

6 条

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

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344135B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344135B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304557B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304557B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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