Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide 分子结构式](/api/mol/86652267/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(Cl)n2n1
- InChIKey
- XWAPNLVFPQGGQU-UHFFFAOYSA-N
- 分子式
- C17H17ClN4O2
- 平均分子量
- 344.8 g/mol
- 单同位素质量
- 344.1040035
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 79.5 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 468
ALIASES
名称与别名
SCHEMBL1017496XWAPNLVFPQGGQU-UHFFFAOYSA-NN-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide
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 (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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