HCID67446633

methyl 1-(4-cyano-3-fluorophenyl)-6-oxo-4-(piperidin-4-yloxy)-1,6-dihydropyridazine-3-carboxylate HCl

methyl 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylate;hydrochloride

C18H18ClFN4O4408.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1nn(-c2ccc(C#N)c(F)c2)c(=O)cc1OC1CCNCC1.Cl
InChIKey: ORYWAESIMYGVOD-UHFFFAOYSA-N
分子式: C18H18ClFN4O4
平均分子量: 408.8 g/mol
单同位素质量: 408.1000609

COMPUTED

结构计算性质

已同步

极性表面积: 104 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 707

ALIASES

名称与别名

共 4 条

SCHEMBL2545048ORYWAESIMYGVOD-UHFFFAOYSA-Nmethyl 1-(4-cyano-3-fluorophenyl)-6-oxo-4-(piperidin-4-yloxy)-1,6-dihydropyridazine-3-carboxylate HClmethyl 1-(4-cyano-3-fluorophenyl)-6-oxo-4-(piperidin-4-yloxy)-1,6-dihydropyridazine-3-carboxylate HCl salt

REACTIONS