HCID58941769

3-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methanesulfonate

3-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,5-oxadiazol-3-yl]propyl methanesulfonate

C13H13ClFN3O5S377.78 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)OCCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIKey: NXRVIAVFXFJYBG-UHFFFAOYSA-N
分子式: C13H13ClFN3O5S
平均分子量: 377.78 g/mol
单同位素质量: 377.0248476

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 120 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 7
重原子: 24
形式电荷: 0
复杂度: 532

ALIASES

名称与别名

共 4 条

SCHEMBL4987036NXRVIAVFXFJYBG-UHFFFAOYSA-N3-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methanesulfonate3-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methane-sulfonate

REACTIONS

参与反应

7 条

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08951536B2

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uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08951536B2

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08450351B2

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08450351B2

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08450351B2

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

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