HCID69727659

6-(3,4-Difluorophenyl)-1-(3-imidazol-1-yl-propylcarbamoyl)-4-methyl-2-oxo-1,2,3,6-tetrahydro-pyrimidine-5-carboxylic Acid Methyl Ester

methyl 4-(3,4-difluorophenyl)-3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate

C20H21F2N5O4433.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCn2ccnc2)C1c1ccc(F)c(F)c1
InChIKey: DBEQYLGUPGFEAO-UHFFFAOYSA-N
分子式: C20H21F2N5O4
平均分子量: 433.4 g/mol
单同位素质量: 433.15616049

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 106 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 734

ALIASES

名称与别名

共 4 条

SCHEMBL6270146DBEQYLGUPGFEAO-UHFFFAOYSA-N6-(3,4-Difluorophenyl)-1-(3-imidazol-1-yl-propylcarba moyl)-4-methyl-2-oxo-1,2,3,6-tetrahydro-pyrimidine-5-carboxylic acid methyl ester6-(3,4-Difluorophenyl)-1-(3-imidazol-1-yl-propylcarbamoyl)-4-methyl-2-oxo-1,2,3,6-tetrahydro-pyrimidine-5-carboxylic Acid Methyl Ester

REACTIONS

参与反应

4 条

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

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uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06245773B1

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uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06268369B1

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uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06727257B1

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