HCID57929872

1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanone

1-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanone

C18H10F2N6O2380.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: ZKSCMUHFYAXKRT-UHFFFAOYSA-N
分子式: C18H10F2N6O2
平均分子量: 380.3 g/mol
单同位素质量: 380.08332991

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 90.6 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 3
重原子: 28
形式电荷: 0
复杂度: 615

ALIASES

名称与别名

共 4 条

SCHEMBL4296519ZKSCMUHFYAXKRT-UHFFFAOYSA-N1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]-triazolo[4,3-b]pyridazin-3-yl)ethanone1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanone

REACTIONS

参与反应

5 条

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

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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_05 · 10.6084/m9.figshare.5104873.v1 · US08188083B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188083B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188083B2

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