HCID57499617

2-[3-(4-Benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-3-methoxy-5-(2-oxo-oxazolidin-3-yl)benzaldehyde hydrochloride

2-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde;hydrochloride

C26H30ClN3O5S532.1 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(N2CCOC2=O)cc(C=O)c1OCCCN1CCN(c2cccc3sccc23)CC1.Cl
InChIKey: SZOIPBJCCSDYNL-UHFFFAOYSA-N
分子式: C26H30ClN3O5S
平均分子量: 532.1 g/mol
单同位素质量: 531.1594699

COMPUTED

结构计算性质

已同步

极性表面积: 99.8 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 9
重原子: 36
形式电荷: 0
复杂度: 721

ALIASES

名称与别名

共 3 条

SCHEMBL294869SZOIPBJCCSDYNL-UHFFFAOYSA-N2-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-3-methoxy-5-(2-oxo-oxazolidin-3-yl)benzaldehyde hydrochloride

REACTIONS

参与反应

2 条

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071600B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598162B2

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