HCID57815248

4-(3-(2-oxo-1,8-naphthyridin-1(2H)-yl)propyl)-1-(2-(2-thienylthio)ethyl)piperidine-4-carboxylic acid

4-[3-(2-oxo-1,8-naphthyridin-1-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid

C23H27N3O3S2457.6 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)C1(CCCn2c(=O)ccc3cccnc32)CCN(CCSc2cccs2)CC1
InChIKey: ITAHYGRDOMLOEX-UHFFFAOYSA-N
分子式: C23H27N3O3S2
平均分子量: 457.6 g/mol
单同位素质量: 457.14938408

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 127 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 31
形式电荷: 0
复杂度: 666

ALIASES

名称与别名

共 4 条

SCHEMBL4148405ITAHYGRDOMLOEX-UHFFFAOYSA-N4-(3-(2-oxo-1,8-naphthyridin-1(2H)-yl) propyl)-1-(2-(2-thienylthio)ethyl)piperidine-4-carboxylic acid4-(3-(2-oxo-1,8-naphthyridin-1(2H)-yl)propyl)-1-(2-(2-thienylthio)ethyl)piperidine-4-carboxylic acid

REACTIONS

参与反应

3 条

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211908B2

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