HCID118691667

US9290457, Intermediate 5

methyl 2-[5-acetyl-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-4-yl]-5-cyanobenzoate

C24H20F3N3O4471.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C#N)ccc1C1C(C(C)=O)=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N1C
InChIKey: QORCQWFYHKOYOE-UHFFFAOYSA-N
分子式: C24H20F3N3O4
平均分子量: 471.4 g/mol
单同位素质量: 471.14059061

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 90.7 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 922

ALIASES

名称与别名

共 5 条

US9290457, Intermediate 5CHEMBL3971581SCHEMBL17474792BDBM2116832-[5-Acetyl-3,6-dimethyl-2-oxo-1-(3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidin-4-yl]-5-cyano-benzoic acid methyl ester

REACTIONS

参与反应

2 条

uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290457B2

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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290457B2

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