HCID9904854

R-112

3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol

C16H13FN4O2312.3 g/molCAS 575474-82-7

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IDENTITY

结构与身份

标准SMILES: Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
InChIKey: TVKGTSHBQZEFEE-UHFFFAOYSA-N
分子式: C16H13FN4O2
平均分子量: 312.3 g/mol
单同位素质量: 312.10225383

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 90.3 Å²
氢键供体: 4
氢键受体: 7
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 376

ALIASES

名称与别名

共 45 条

575474-82-7R-112Y7W5AL9KHB3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenolR-9212183,3'-((5-Fluoro-2,4-pyrimidinediyl)diimino)bis(phenol)Phenol, 3,3'-((5-fluoro-2,4-pyrimidinediyl)diimino)bis-3-((5-Fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl)amino)phenolRefChem:178447R112R 112 (pharMaceutical)3,3'-((5-Fluoropyrimidine-2,4-diyl)bis(azanediyl))diphenolCHEMBL5152713-({5-fluoro-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl}amino)phenolTVKGTSHBQZEFEE-UHFFFAOYSA-NUNII-Y7W5AL9KHBSCHEMBL655935SYK-IN-R112orb1223095orb1304448

REACTIONS