HCID53834800

Allyl 4-(alpha-fluoro-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylacetamido)benzoate

prop-2-enyl 4-[[2-fluoro-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoate

C26H30FNO3423.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCOC(=O)c1ccc(NC(=O)C(F)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIKey: GEXVVNGPGHTTFO-UHFFFAOYSA-N
分子式: C26H30FNO3
平均分子量: 423.5 g/mol
单同位素质量: 423.22097198

COMPUTED

结构计算性质

已同步

XLogP: 6.8
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 666

ALIASES

名称与别名

共 4 条

SCHEMBL8839149GEXVVNGPGHTTFO-UHFFFAOYSA-NAllyl 4-(alpha-fluoro-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylacetamido)benzoateAllyl 4-(alpha-fluoro-5,6,7,8-tetrahydro -5,5,8,8-tetramethyl-2-naphthylacetamido)benzoate

REACTIONS

参与反应

3 条

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

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uspto-grants-1995_08 · 10.6084/m9.figshare.5104873.v1 · US05439925

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uspto-grants-1997_11 · 10.6084/m9.figshare.5104873.v1 · US05688817

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