Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看![2-Methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester 分子结构式](/api/mol/57719191/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(C)(C)Oc1ccc(OCCC2CNC(=O)N2C)cc1
- InChIKey
- MOSIIWGVFRPBIK-UHFFFAOYSA-N
- 分子式
- C18H26N2O5
- 平均分子量
- 350.4 g/mol
- 单同位素质量
- 350.18417193
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 77.1 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 9
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 460
ALIASES
名称与别名
SCHEMBL3989401MOSIIWGVFRPBIK-UHFFFAOYSA-N2-methyl-2-{4-[2-(3-methyl-2-oxo- imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester2-methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester
REACTIONS
