HCID117821103

1-(2-(3-Methoxy-4-(2-methyloxazol-5-yl)phenylamino)-6-((2,2,2-trifluoroethoxy)methyl)-pyrimidin-4-yl)ethanone

1-[2-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)anilino]-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]ethanone

C20H19F3N4O4436.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(Nc2nc(COCC(F)(F)F)cc(C(C)=O)n2)ccc1-c1cnc(C)o1
InChIKey: VQPIRPAYHCKTFN-UHFFFAOYSA-N
分子式: C20H19F3N4O4
平均分子量: 436.4 g/mol
单同位素质量: 436.13583959

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 99.4 Å²
氢键供体: 1
氢键受体: 11
可旋转键: 8
重原子: 31
形式电荷: 0
复杂度: 597

ALIASES

名称与别名

共 3 条

1-(2-(3-Methoxy-4-(2-methyloxazol-5-yl)phenylamino)-6-((2,2,2-trifluoroethoxy)methyl)-pyrimidin-4-yl)ethanoneSCHEMBL163980851-(2-(3-Methoxy-4-(2-methyloxazol-5-yl)phenyla mi no)-6-((2,2,2-trifluoroethoxy)methyl)-pyrimidin-4-yl)etha none

REACTIONS

参与反应

3 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439904B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439904B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439904B2

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