Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- BrCCOc1ccc(Oc2nc3ncccc3s2)cc1
- InChIKey
- OYZMZZMLLSNSQQ-UHFFFAOYSA-N
- 分子式
- C14H11BrN2O2S
- 平均分子量
- 351.22 g/mol
- 单同位素质量
- 349.97246
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 72.5 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 303
ALIASES
名称与别名
SCHEMBL1888122OYZMZZMLLSNSQQ-UHFFFAOYSA-N2-[4-(2-Bromoethoxy)phenoxy][1,3]thiazolo[4,5-b]pyridine
REACTIONS
相关反应
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查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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查看uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357684B2
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