HCID16223413

1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-(hydroxymethyl)azetidin-3-ol

[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-(hydroxymethyl)azetidin-1-yl]methanone

C17H14F3IN2O3478.2 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(CO)C1
InChIKey: OQQZKLZIDXLDLJ-UHFFFAOYSA-N
分子式: C17H14F3IN2O3
平均分子量: 478.2 g/mol
单同位素质量: 478.00012

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 72.8 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 4
重原子: 26
形式电荷: 0
复杂度: 523

ALIASES

名称与别名

共 6 条

CHEMBL2146890SCHEMBL188883SCHEMBL29413452OQQZKLZIDXLDLJ-UHFFFAOYSA-NBDBM503917971-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-(hydroxymethyl)azetidin-3-ol

REACTIONS

参与反应

4 条

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915250B2

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07999006B2

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07803839B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362002B2

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