HCID86702875

5-chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-2-fluoro-N-(N-methylsulfamoyl)benzamide

5-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-fluoro-N-(methylsulfamoyl)benzamide

C20H22ClFN2O5S456.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CNS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)OC(C)(C)CC3)cc1F
InChIKey: SJGWUGCSDNKOCH-UHFFFAOYSA-N
分子式: C20H22ClFN2O5S
平均分子量: 456.9 g/mol
单同位素质量: 456.0921988

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 102 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 30
形式电荷: 0
复杂度: 716

ALIASES

名称与别名

共 6 条

CHEMBL3657857SCHEMBL16389187SJGWUGCSDNKOCH-UHFFFAOYSA-NBDBM145287US8952169, 665-chloro-4-((2,2-dimethylchroman-7-yloxy)methyl)-2-fluoro-N-(N-methylsulfamoyl)benzamide

REACTIONS

参与反应

2 条

uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08933236B2

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uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08952169B2

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