uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04343811
查看![2-Methyl-2-[1,2-dimethyl-3-(4-methyl-phenyl)-1H-indole-5-yloxy]-propanoic acid ethylester 分子结构式](/api/mol/53917744/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(-c1ccc(C)cc1)c(C)n2C
- InChIKey
- IIFFJOWVTCFYRB-UHFFFAOYSA-N
- 分子式
- C23H27NO3
- 平均分子量
- 365.5 g/mol
- 单同位素质量
- 365.19909372
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 40.5 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 6
- 重原子
- 27
- 形式电荷
- 0
- 复杂度
- 512
ALIASES
名称与别名
SCHEMBL11263047IIFFJOWVTCFYRB-UHFFFAOYSA-N2-Methyl-2-[1,2-dimethyl-3-(4-methyl-phenyl)-1H-indole-5-yloxy]-propanoic acid ethylester
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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