HCID67072266

2-Dimethylaminomethyl-9-hydroxythieno[2,3-c]isoquinolin-5(4H)-one hydrobromide

2-[(dimethylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one;hydrobromide

C14H15BrN2O2S355.25 g/mol

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IDENTITY

结构与身份

标准SMILES: Br.CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1
InChIKey: ZUZXFEFLTIBJAB-UHFFFAOYSA-N
分子式: C14H15BrN2O2S
平均分子量: 355.25 g/mol
单同位素质量: 354.00376

COMPUTED

结构计算性质

已同步

极性表面积: 80.8 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 2
重原子: 20
形式电荷: 0
复杂度: 363

ALIASES

名称与别名

共 5 条

SCHEMBL1549763CHEMBL3219283ZUZXFEFLTIBJAB-UHFFFAOYSA-N2-dimethylaminomethyl-9-hydroxy-4h-thieno[2,3-c]isoquinolin-5-one-hydrobromide2-Dimethylaminomethyl-9-hydroxythieno[2,3-c]isoquinolin-5(4H)-one hydrobromide

REACTIONS

参与反应

4 条

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633215B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633215B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079915B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079915B2

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