HCID69746317

[[4-(3-Chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]-(3-phenyl-2-propene-1-yl)-amino]acetic acid

2-[[4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]-(3-phenylprop-2-enyl)amino]acetic acid

C23H22ClN3O4439.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1=C(C(=O)N(CC=Cc2ccccc2)CC(=O)O)C(c2cccc(Cl)c2)NC(=O)N1
InChIKey: ATFQUEBCKIQCJZ-UHFFFAOYSA-N
分子式: C23H22ClN3O4
平均分子量: 439.9 g/mol
单同位素质量: 439.1298839

COMPUTED

结构计算性质

等待补全

XLogP: 3
极性表面积: 98.7 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 745

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL6339265ATFQUEBCKIQCJZ-UHFFFAOYSA-N[[4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]- (3-phenyl-2-propene-1-yl)-amino]acetic acid[[4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]-(3-phenyl-2-propene-1-yl)-amino]acetic acid

REACTIONS

参与反应

2 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855716B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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