HCID86660623

tert-Butyl 5-(5-(5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate

tert-butyl N-[5-[5-[5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

C27H27BrClN3O6604.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC1(c2cc3cc(-c4noc(-c5ccc(Br)c(Cl)c5)n4)ccc3o2)COC(C)(C)OC1
InChIKey: MABOQMKEJAOVCD-UHFFFAOYSA-N
分子式: C27H27BrClN3O6
平均分子量: 604.9 g/mol
单同位素质量: 603.07718

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 109 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 849

ALIASES

名称与别名

共 3 条

SCHEMBL17797419MABOQMKEJAOVCD-UHFFFAOYSA-Ntert-Butyl 5-(5-(5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate

REACTIONS

参与反应

4 条

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193716B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193716B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592399B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592399B2

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