HCID10112720

1-(2', 4'-Difluorophenyl)-6-fluoro-1,4-dihydro-7-(piperidin-4-yl-amino)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(piperidin-4-ylamino)-1,8-naphthyridine-3-carboxylic acid

C20H17F3N4O3418.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(NC3CCNCC3)c(F)cc2c1=O
InChIKey: GVYNYSQQTBIXMM-UHFFFAOYSA-N
分子式: C20H17F3N4O3
平均分子量: 418.4 g/mol
单同位素质量: 418.1252749

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 94.6 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 703

ALIASES

名称与别名

共 4 条

SCHEMBL5868710GVYNYSQQTBIXMM-UHFFFAOYSA-N1-(2', 4'-Difluorophenyl) -6-fluoro-1,4-dihydro-7-(piperidin-4-yl-amino)-4-oxo-1,8-naphthyridine-3-carboxylic acid1-(2',4'-Difluorophenyl)-6-fluoro-1,4-dihydro-7-(piperidin-4-yl-amino)-4-oxo-1,8-naphthyridine-3-carboxylic acid

REACTIONS

参与反应

1 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098219B2

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