HCID19079237

4-[2-(3-Hydroxyisoindolin-1-on-2-yl)ethylthio]pyridine

3-hydroxy-2-(2-pyridin-4-ylsulfanylethyl)-3H-isoindol-1-one

C15H14N2O2S286.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1c2ccccc2C(O)N1CCSc1ccncc1
InChIKey: GANYCMXYWDHGAF-UHFFFAOYSA-N
分子式: C15H14N2O2S
平均分子量: 286.4 g/mol
单同位素质量: 286.07759887

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 78.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 347

ALIASES

名称与别名

共 5 条

4-(2-(3-hydroxyisoindolin-1-on-2-yl)-ethylthio)pyridine4-[2-(3-hydroxyisoindolin-1-on-2-yl)-ethylthio]pyridineSCHEMBL8616962GANYCMXYWDHGAF-UHFFFAOYSA-N4-[2-(3-hydroxyisoindolin-1-on-2-yl)ethylthio]pyridine

REACTIONS

参与反应

6 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246948

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uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05389658

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uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05561147

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uspto-grants-1998_06 · 10.6084/m9.figshare.5104873.v1 · US05767121

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05457106

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