Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CN1C(=O)COc2cc(Br)cnc21
- InChIKey
- LPNOVPUBJZCETM-UHFFFAOYSA-N
- 分子式
- C8H7BrN2O2
- 平均分子量
- 243.06 g/mol
- 单同位素质量
- 241.96909
COMPUTED
结构计算性质
- XLogP
- 1
- 极性表面积
- 42.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 224
ALIASES
名称与别名
122450-97-97-Bromo-4-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one7-Bromo-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-oneMFCD283903077-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 7-bromo-4-methyl-7-Bromo-4-methyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-oneSCHEMBL7318495LPNOVPUBJZCETM-UHFFFAOYSA-NDTXSID801209601AKOS023567871AS-54843DB-114055CS-0037145W10477F5054647-bromo-4-methyl-pyrido[3,2-b][1,4]oxazin-3-one4-methyl-7-bromo-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one7-bromo-4-methyl-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-3-one
REACTIONS
参与反应
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查看uspto-grants-1989_09 · 10.6084/m9.figshare.5104873.v1 · US04866074
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