uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842685B2
查看![Racemic 2,2,2-trifluoro-1-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl-)ethanamine trifluoroacetic acid salt 分子结构式](/api/mol/87273677/svg/360x280.svg)
HCID87273677
Racemic 2,2,2-trifluoro-1-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl-)ethanamine trifluoroacetic acid salt
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine
C25H18F7N3O2S557.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- NC(c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(F)(F)F.O=C(O)C(F)(F)F
- InChIKey
- DCYRSJHKMHVEMV-UHFFFAOYSA-N
- 分子式
- C25H18F7N3O2S
- 平均分子量
- 557.5 g/mol
- 单同位素质量
- 557.10079513
COMPUTED
结构计算性质
- 极性表面积
- 117 Ų
- 氢键供体
- 2
- 氢键受体
- 13
- 可旋转键
- 4
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 720
ALIASES
名称与别名
SCHEMBL1662111DCYRSJHKMHVEMV-UHFFFAOYSA-Nracemic 2,2,2-trifluoro-1-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine-2-yl)phenyl-)ethanamine trifluoroacetic acid salt
REACTIONS
参与反应