Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看![(5-Bromo-imidazo[1,2-a]pyrazin-8-yl)-[4-(4-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-amine 分子结构式](/api/mol/59023092/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CN(C)Cc1cn(-c2ccc(Nc3ncc(Br)n4ccnc34)cc2)nn1
- InChIKey
- SUXMBUGODYSLLL-UHFFFAOYSA-N
- 分子式
- C17H17BrN8
- 平均分子量
- 413.3 g/mol
- 单同位素质量
- 412.07596
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 76.2 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 458
ALIASES
名称与别名
SCHEMBL1674257SUXMBUGODYSLLL-UHFFFAOYSA-N(5-bromo-imidazo[1,2-a]pyrazin-8-yl)-[4-(4-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-amine
REACTIONS
参与反应
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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