uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193716B2
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HCID86660625
tert-Butyl 5-(5-(5-(4-propoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate
tert-butyl N-[5-[5-[5-(3-methoxy-4-propoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
C31H37N3O8579.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCOc1ccc(-c2nc(-c3ccc4oc(C5(NC(=O)OC(C)(C)C)COC(C)(C)OC5)cc4c3)no2)cc1OC
- InChIKey
- CUTUUIWBBUTJMA-UHFFFAOYSA-N
- 分子式
- C31H37N3O8
- 平均分子量
- 579.6 g/mol
- 单同位素质量
- 579.25806515
COMPUTED
结构计算性质
- XLogP
- 5.3
- 极性表面积
- 127 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 10
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 903
ALIASES
名称与别名
SCHEMBL17797397CUTUUIWBBUTJMA-UHFFFAOYSA-Ntert-Butyl 5-(5-(5-(4-propoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate
REACTIONS
参与反应
uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592399B2
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