Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(OCCn3cc(Br)ccc3=O)ccnc2c1
- InChIKey
- ZKSJVVMNBVLBNC-UHFFFAOYSA-N
- 分子式
- C17H15BrN2O3
- 平均分子量
- 375.2 g/mol
- 单同位素质量
- 374.0266
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 51.7 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 494
ALIASES
名称与别名
SCHEMBL3858465ZKSJVVMNBVLBNC-UHFFFAOYSA-N5-bromo-1-(2-(7-methoxyquinolin-4-yloxy)ethyl)pyridin-2(1 H)-one5-Bromo-1-(2-(7-methoxyquinolin-4-yloxy)ethyl)pyridin-2(1H)-one5-Bromo-1-(2-((7-methoxyquinolin-4-yl)oxy)ethyl)pyridin-2(1H)-one1051314-31-8
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08314087B2
查看uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08314087B2
查看uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08314087B2
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