uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440961B2
查看IDENTITY
结构与身份
- 标准SMILES
- COCCOc1cc2c(Cl)nc(-c3cccc(OCc4ccccc4)c3)nc2cc1OC
- InChIKey
- ZJCZDZCANWGPDD-UHFFFAOYSA-N
- 分子式
- C25H23ClN2O4
- 平均分子量
- 450.9 g/mol
- 单同位素质量
- 450.1346349
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 62.7 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 9
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 550
ALIASES
名称与别名
SCHEMBL874712ZJCZDZCANWGPDD-UHFFFAOYSA-N2-(3-(benzyloxy)phenyl)-4-chloro-7-methoxy-6-(2-methoxyethoxy)quinazoline
REACTIONS
参与反应
uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440961B2
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