HCID118036849

(Racemic) 1-(8-((5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)carbamoyl)-2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl methanesulfonate

1-[8-[[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]carbamoyl]-2-(dimethoxymethyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]ethyl methanesulfonate

C24H32N6O7S548.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(C(C)OS(C)(=O)=O)c(C(OC)OC)nc32)ncc1C#N
InChIKey: UJWMKOXUVBJBMY-UHFFFAOYSA-N
分子式: C24H32N6O7S
平均分子量: 548.6 g/mol
单同位素质量: 548.20531855

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 173 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 11
重原子: 38
形式电荷: 0
复杂度: 921

ALIASES

名称与别名

共 3 条

SCHEMBL16668631UJWMKOXUVBJBMY-UHFFFAOYSA-N(racemic) 1-(8-((5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)carbamoyl)-2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl methanesulfonate

REACTIONS

参与反应

2 条

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09266883B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09266883B2

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