HCID68937601

(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)-{6-[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]methanone

C21H20FN3O5S445.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1
InChIKey: YNMHVHTYCCNTHJ-UHFFFAOYSA-N
分子式: C21H20FN3O5S
平均分子量: 445.5 g/mol
单同位素质量: 445.11077008

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 111 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 5
重原子: 31
形式电荷: 0
复杂度: 719

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

SCHEMBL4162143CHEMBL3676545YNMHVHTYCCNTHJ-UHFFFAOYSA-NBDBM133411US8846719, 96(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)-{6-[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-methanone

REACTIONS

参与反应

5 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846719B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877782B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877783B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09073908B2

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518974B2

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