HCID59398133

ethyl 1-(2-((3-fluorophenyl)thio)ethyl)-4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

ethyl 1-[2-(3-fluorophenyl)sulfanylethyl]-4-[3-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidine-4-carboxylate

C29H35FN2O4S526.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCSc2cccc(F)c2)CC1
InChIKey: YGALPXCPVMWVTP-UHFFFAOYSA-N
分子式: C29H35FN2O4S
平均分子量: 526.7 g/mol
单同位素质量: 526.23015694

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 84.4 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 12
重原子: 37
形式电荷: 0
复杂度: 788

ALIASES

名称与别名

共 3 条

SCHEMBL2796445YGALPXCPVMWVTP-UHFFFAOYSA-Nethyl 1-(2-((3-fluorophenyl)thio)ethyl)-4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

REACTIONS

相关反应

6 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329694B2

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329694B2

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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