Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 分子结构式](/api/mol/9843657/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F
- InChIKey
- MGSIJDCPNJZOHF-UHFFFAOYSA-N
- 分子式
- C14H8ClF6N5
- 平均分子量
- 395.69 g/mol
- 单同位素质量
- 395.0372419
COMPUTED
结构计算性质
- XLogP
- 4.8
- 极性表面积
- 55.1 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 3
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 487
ALIASES
名称与别名
SCHEMBL976390MGSIJDCPNJZOHF-UHFFFAOYSA-N5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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