HRID198791
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IDENTITY
结构与身份
- 标准 SMILES
- CC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12
- InChIKey
- MQACLGCIJTVSFT-UHFFFAOYSA-N
- 分子式
- C11H12BrN3O
- 平均分子量
- 282.14 g/mol
- 单同位素质量
- 281.01637
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 58.6 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 289
ALIASES
名称与别名
1-(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one1184852-23-0SCHEMBL651340MQACLGCIJTVSFT-UHFFFAOYSA-NDB-0974391-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethyl-propan-1-one1-(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-yl)-2,2-dimethyl propan-1-one
REACTIONS
参与反应
HRID214145
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HRID292599
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HRID547464
uspto-grants-2011_05
作为生成物
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939531B2
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uspto-grants-2011_05
作为反应物
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939531B2
查看条件与参与物HRID547471
uspto-grants-2011_05
作为反应物
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939531B2
查看条件与参与物HRID547473
uspto-grants-2011_05
作为反应物
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939531B2
查看条件与参与物HRID600379
uspto-grants-2011_03
作为反应物
uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07902197B2
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