HCID23157425

Ethyl 3-[4-({[4'-(2-ethoxyethoxy)-2',3',5',6'-tetramethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoate

ethyl 3-[4-[[3-[4-(2-ethoxyethoxy)-2,3,5,6-tetramethylphenyl]phenyl]methylamino]-2-fluorophenyl]propanoate

C32H40FNO4521.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOCCOc1c(C)c(C)c(-c2cccc(CNc3ccc(CCC(=O)OCC)c(F)c3)c2)c(C)c1C
InChIKey: FEPJSPNQYDEOHE-UHFFFAOYSA-N
分子式: C32H40FNO4
平均分子量: 521.7 g/mol
单同位素质量: 521.29413692

COMPUTED

结构计算性质

已同步

XLogP: 7.2
极性表面积: 56.8 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 14
重原子: 38
形式电荷: 0
复杂度: 676

ALIASES

名称与别名

共 3 条

SCHEMBL3632277FEPJSPNQYDEOHE-UHFFFAOYSA-Nethyl 3-[4-({[4'-(2-ethoxyethoxy)-2',3',5',6'-tetramethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoate

REACTIONS

参与反应

4 条

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

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786165B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786165B2

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

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