HCID22595036

Methyl 3-(5-phenylsulfonylbenzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamate

methyl 3-[3-[5-(benzenesulfonyl)benzotriazol-2-yl]-5-tert-butyl-4-hydroxyphenyl]propanoate

C26H27N3O5S493.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCc1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIKey: DSZKSKDGJMWOFG-UHFFFAOYSA-N
分子式: C26H27N3O5S
平均分子量: 493.6 g/mol
单同位素质量: 493.16714214

COMPUTED

结构计算性质

等待补全

XLogP: 5.5
极性表面积: 120 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 8
重原子: 35
形式电荷: 0
复杂度: 833

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL4822523DSZKSKDGJMWOFG-UHFFFAOYSA-NMethyl 3-(5-phenylsulfonylbenzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydro-cinnamateMethyl 3-(5-phenylsulfonylbenzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamate

REACTIONS

相关反应

6 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419513B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419513B2

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

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uspto-grants-2005_01 · 10.6084/m9.figshare.5104873.v1 · US06846929B2

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uspto-grants-2005_01 · 10.6084/m9.figshare.5104873.v1 · US06846929B2

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

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