HCID21089008

3-[5-chloro-4-[(2,4-difluorobenzyl)oxy)-6-oxopyrimidin-1(6H)-yl]-N-[1-(aminocarbonyl)methyl]-4-methylbenzamide

N-(2-amino-2-oxoethyl)-3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methylbenzamide

C21H17ClF2N4O4462.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(C(=O)NCC(N)=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIKey: ZYDCHNYCWNUKHG-UHFFFAOYSA-N
分子式: C21H17ClF2N4O4
平均分子量: 462.8 g/mol
单同位素质量: 462.0906391

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 114 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 32
形式电荷: 0
复杂度: 809

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

CHEMBL17956813-[5-chloro-4-[(2,4-difluorobenzyl)oxy)-6-oxopyrimidin-1(6H)-yl]-N-[1-(aminocarbonyl)methyl]-4-methylbenzamide3-[5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl]-N-[1-(aminocarbonyl)methyl]-4-methylbenzamideSCHEMBL3524735ZYDCHNYCWNUKHG-UHFFFAOYSA-NBDBM50346921

REACTIONS

参与反应

40 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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