uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859566B2
查看![8-{4-[3-(4-Fluoro-Phenyl)-prop-2-ynyloxy]-phenyl}-1-propyl-2-(3-trifluoromethyl-phenyl)-7-(2-trimethylsilanyl-ethoxymethyl)-1,7-dihydro-purin-6-one 分子结构式](/api/mol/67133444/svg/360x280.svg)
HCID67133444
8-{4-[3-(4-Fluoro-Phenyl)-prop-2-ynyloxy]-phenyl}-1-propyl-2-(3-trifluoromethyl-phenyl)-7-(2-trimethylsilanyl-ethoxymethyl)-1,7-dihydro-purin-6-one
8-[4-[3-(4-fluorophenyl)prop-2-ynoxy]phenyl]-1-propyl-2-[3-(trifluoromethyl)phenyl]-7-(2-trimethylsilylethoxymethyl)purin-6-one
C36H36F4N4O3Si676.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCn1c(-c2cccc(C(F)(F)F)c2)nc2nc(-c3ccc(OCC#Cc4ccc(F)cc4)cc3)n(COCC[Si](C)(C)C)c2c1=O
- InChIKey
- YFWJQRLBNAXAPW-UHFFFAOYSA-N
- 分子式
- C36H36F4N4O3Si
- 平均分子量
- 676.8 g/mol
- 单同位素质量
- 676.24928021
COMPUTED
结构计算性质
- 极性表面积
- 69 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 12
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
8-{4-[3-(4-Fluoro-Phenyl)-prop-2-ynyloxy]-phenyl}-1-propyl-2-(3-trifluoromethyl-phenyl)-7-(2-trimethylsilanyl-ethoxymethyl)-1,7-dihydro-purin-6-oneSCHEMBL1720830
REACTIONS
