HRID94171
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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结构与身份
- 标准 SMILES
- CC(=O)Nc1nc2ccc(Oc3cccc(N)c3)c(C#N)c2s1
- InChIKey
- CKQKUBUEBCYJBI-UHFFFAOYSA-N
- 分子式
- C16H12N4O2S
- 平均分子量
- 324.4 g/mol
- 单同位素质量
- 324.06809681
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 129 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 494
ALIASES
名称与别名
SCHEMBL825992CKQKUBUEBCYJBI-UHFFFAOYSA-NN-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide
REACTIONS
参与反应
HRID201857
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
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 (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID210947
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
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 (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID455180
uspto-grants-2013_07
作为反应物
uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497274B2
查看条件与参与物HRID455181
uspto-grants-2013_07
作为反应物
uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497274B2
查看条件与参与物HRID455183
uspto-grants-2013_07
作为反应物
uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497274B2
查看条件与参与物