HCID9869402

UK-157147

6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one

C23H24N2O7S472.5 g/molCAS 162704-20-3

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IDENTITY

结构与身份

标准SMILES: Cn1nc(O[C@@H]2c3cc(S(=O)(=O)c4cccc(O)c4)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O
InChIKey: MOZBVDKKWDXRGH-GGAORHGYSA-N
分子式: C23H24N2O7S
平均分子量: 472.5 g/mol
单同位素质量: 472.13042228

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 134 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 4
重原子: 33
形式电荷: 0
复杂度: 941

ALIASES

名称与别名

共 22 条

UK-157147162704-20-34MLV6V88TGUK157147RefChem:933769UK 157147UK 157,147UK-147,157UNII-4MLV6V88TG6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one3(2H)-Pyridazinone, 6-(((3S,4R)-3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-Pyridazinone, 6-((3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-, (3S-trans)-6-(((3S,4R)-3,4-Dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-pyridazinoneorb1706058SCHEMBL3097671MOZBVDKKWDXRGH-GGAORHGYSA-NAKOS040744387DA-68464HY-100319CS-0018470

REACTIONS

参与反应

1 条

uspto-grants-1999_06 · 10.6084/m9.figshare.5104873.v1 · US05912244

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