HCID136054885

2-[2,4-dichloro-5-(2-propynyloxy)-phenyl]-2,4-dihydro-5-(3,4-epoxybutyl)-3H-1,2,4-triazol-3-one

2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-[2-(oxiran-2-yl)ethyl]-4H-1,2,4-triazol-3-one

C15H13Cl2N3O3354.2 g/mol

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IDENTITY

结构与身份

标准SMILES: C#CCOc1cc(-n2nc(CCC3CO3)[nH]c2=O)c(Cl)cc1Cl
InChIKey: LKZLHGXVGDSFMX-UHFFFAOYSA-N
分子式: C15H13Cl2N3O3
平均分子量: 354.2 g/mol
单同位素质量: 353.0333967

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 66.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 23
形式电荷: 0
复杂度: 547

ALIASES

名称与别名

共 4 条

SCHEMBL8567035LKZLHGXVGDSFMX-UHFFFAOYSA-N2-[2,4-dichloro-5-(2-propynyloxy)-phenyl]-2,4-dihydro-5-(3,4-epoxybutyl)-3H-1,2,4-triazol-3-one2-[2,4-dichloro-5-(2-propynyloxy)phenyl]-2.4-dihydro-5-(3.4epoxybutyl)-3H- 1,2,4-triazol-3-one

REACTIONS

参与反应

2 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728651

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728651

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