HCID86604756

methyl 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-hydroxybenzoate

methyl 4-[[1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamoyl]-2-hydroxybenzoate

C25H28N4O5464.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1O
InChIKey: SBOVKVQFBADIND-UHFFFAOYSA-N
分子式: C25H28N4O5
平均分子量: 464.5 g/mol
单同位素质量: 464.20597001

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 126 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 759

ALIASES

名称与别名

共 3 条

SCHEMBL1483389SBOVKVQFBADIND-UHFFFAOYSA-Nmethyl 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-hydroxybenzoate

REACTIONS

参与反应

6 条

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

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318796B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318796B2

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uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07576115B2

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uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07576115B2

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