uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09035063B2
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HCID90416295
N-(4-(2-(benzyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-2-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
C30H32BF4NO5573.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1(C)OB(c2ccc(CC(=O)Nc3ccc(OCCOCc4ccccc4)c(C(F)(F)F)c3)c(F)c2)OC1(C)C
- InChIKey
- YMEYHMUWDGYQCQ-UHFFFAOYSA-N
- 分子式
- C30H32BF4NO5
- 平均分子量
- 573.4 g/mol
- 单同位素质量
- 573.2309659
COMPUTED
结构计算性质
- 极性表面积
- 66 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 837
ALIASES
名称与别名
N-(4-(2-(benzyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-2-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamideSCHEMBL16045870
REACTIONS
