HCID86697370

methyl 2-((3S)-6-((1R)-4-(2,6-dimethyl-4-(2-(methylsulfinyl)ethoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

methyl 2-[(3S)-6-[[(1R)-4-[2,6-dimethyl-4-(2-methylsulfinylethoxy)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

C31H33FO6S552.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(OCCS(C)=O)cc5C)ccc(F)c43)ccc21
InChIKey: DHGYTLINHBKIME-MXGYRBNBSA-N
分子式: C31H33FO6S
平均分子量: 552.7 g/mol
单同位素质量: 552.1981881

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 90.3 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 10
重原子: 39
形式电荷: 0
复杂度: 845

ALIASES

名称与别名

共 4 条

SCHEMBL15262316DHGYTLINHBKIME-MXGYRBNBSA-NMethyl 2-((35)-6-((1R)-4-(2,6-dimethyl-4-(2-(methylsulfinyl)ethoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetatemethyl 2-((3S)-6-((1R)-4-(2,6-dimethyl-4-(2-(methylsulfinyl)ethoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

REACTIONS

参与反应

2 条

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642585B2

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642585B2

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