Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Cc1cncc(Br)c1)N1CCOCC1
- InChIKey
- FEYPEIBUEKDVNO-UHFFFAOYSA-N
- 分子式
- C11H13BrN2O2
- 平均分子量
- 285.14 g/mol
- 单同位素质量
- 284.01604
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 42.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 244
物化、安全与法规信息正在同步。
ALIASES
名称与别名
156423-67-52-(5-Bromopyridin-3-yl)-1-morpholinoethanone2-(5-bromopyridin-3-yl)-1-morpholin-4-ylethanoneSCHEMBL2256727FEYPEIBUEKDVNO-UHFFFAOYSA-N4-[(5-bromopyridin-3-yl)acetyl]morpholineDB-4082842-(5-bromo-3-pyridyl)-1-morpholino-ethanoneA1-730212-(5-Bromo-3-pyridinyl)-1-(4-morpholinyl)ethanone2-(5-bromo-pyridin-3-yl)-1-morpholin-4-yl-ethanone
REACTIONS
参与反应
uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181272B2
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07998952B2
查看uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07998952B2
查看uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08507667B2
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