uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772267B2
查看HCID59754338
(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile
4-[(7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile
C21H28ClN3O3Si434 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1c(N2C(=O)N3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)C2=O)ccc(C#N)c1Cl
- InChIKey
- BEILWLKMLRIBGC-IIBYNOLFSA-N
- 分子式
- C21H28ClN3O3Si
- 平均分子量
- 434 g/mol
- 单同位素质量
- 433.158846
COMPUTED
结构计算性质
- 极性表面积
- 73.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 758
ALIASES
名称与别名
SCHEMBL2956718BEILWLKMLRIBGC-IIBYNOLFSA-N(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methyl-benzonitrile(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile
REACTIONS