HCID57422482

1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-1,2,4-triazolidine-3,5-dione

1-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,2,4-triazolidine-3,5-dione

C19H20N6O3380.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1noc(C)c1Cn1cc(-n2c(=O)n(C)n(Cc3ccccc3)c2=O)cn1
InChIKey: ZKWZADFJXBIFEO-UHFFFAOYSA-N
分子式: C19H20N6O3
平均分子量: 380.4 g/mol
单同位素质量: 380.15968852

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 87.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 598

ALIASES

名称与别名

共 6 条

SCHEMBL1279587CHEMBL3935648ZKWZADFJXBIFEO-UHFFFAOYSA-NBDBM211317US9247759, 10-651-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-1,2,4-triazolidine-3,5-dione

REACTIONS

参与反应

10 条

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939671B2

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939671B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076491B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148544B2

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148544B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09247759B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09247759B2

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