Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1
- InChIKey
- JGTMMGWTMNCAJR-UHFFFAOYSA-N
- 分子式
- C13H10F3N5O
- 平均分子量
- 309.25 g/mol
- 单同位素质量
- 309.08374445
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 78.9 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 2
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 396
ALIASES
名称与别名
950845-99-55-(5-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)pyrazin-2-amine5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine5-(5-Methoxy-2-(trifluoromethyl)-1H-benzo-[d]imidazol-1-yl)pyrazin-2-amine5-[5-methoxy-2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]pyrazin-2-amineSCHEMBL648789DTXSID90705350AKOS0159995635-(5-methoxy-2-trifluoromethyl-benzoimidazol-1-yl)-pyrazin-2-ylamine5-[5-Methoxy-2-(trifluoromethyl)-1H-benzimidazol-1-yl]pyrazin-2-amine5-[5-Methoxy-2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]pyrazin-2-amine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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