HCID21960135

4-[2-[2-Ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzene

2-ethyl-6-methyl-3-[2-(4-nitrophenoxy)ethyl]pyrimidin-4-one

C15H17N3O4303.31 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1nc(C)cc(=O)n1CCOc1ccc([N+](=O)[O-])cc1
InChIKey: IVOQKGWHBLOGQP-UHFFFAOYSA-N
分子式: C15H17N3O4
平均分子量: 303.31 g/mol
单同位素质量: 303.12190603

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 87.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 488

ALIASES

名称与别名

共 7 条

4-[2-[2-ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzeneSCHEMBL5935581IVOQKGWHBLOGQP-UHFFFAOYSA-N199114-43-7DB-3672184-[2-[2-Ethyl-4-methyl-6-oxo-1,6dihydro-1-pyrimidinyl]ethoxy]nitrobenzene4-[2-[2-ethyl-4-methyl-6-oxo- 1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzene

REACTIONS