HRID88205
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)C(C)(C)Oc1cccc(OCCc2nc(-c3cccc(-c4ccccc4)c3)oc2C)c1
- InChIKey
- PTUNFDJNQGDWKK-UHFFFAOYSA-N
- 分子式
- C30H31NO5
- 平均分子量
- 485.6 g/mol
- 单同位素质量
- 485.22022309
COMPUTED
结构计算性质
- XLogP
- 6.8
- 极性表面积
- 70.8 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 11
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 678
ALIASES
名称与别名
SCHEMBL6703623PTUNFDJNQGDWKK-UHFFFAOYSA-N2-{3-[2-(2-biphenyl-3-yl-5-methyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl ester
REACTIONS
参与反应
HRID312479
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HRID398138
uspto-grants-2003_08
作为生成物
uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610696B2
查看条件与参与物HRID398139
uspto-grants-2003_08
作为反应物
uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610696B2
查看条件与参与物HRID2229009
uspto-grants-2002_07
作为生成物
uspto-grants-2002_07 · 10.6084/m9.figshare.5104873.v1 · US06417212B1
查看条件与参与物HRID2229010
uspto-grants-2002_07
作为反应物
uspto-grants-2002_07 · 10.6084/m9.figshare.5104873.v1 · US06417212B1
查看条件与参与物HRID2344187
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看条件与参与物HRID2417061
uspto-grants-2004_11
作为生成物
uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06825222B2
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