HCID67363933

5-(3,4-Dimethoxyphenyl)-2-{1-[(1-methoxynaphthalen-2-yl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

5-(3,4-dimethoxyphenyl)-2-[1-(1-methoxynaphthalene-2-carbonyl)piperidin-4-yl]-4,4-dimethylpyrazol-3-one

C30H33N3O5515.6 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1ccc(C2=NN(C3CCN(C(=O)c4ccc5ccccc5c4OC)CC3)C(=O)C2(C)C)cc1OC
InChIKey: YMZGAPVJAPCIDE-UHFFFAOYSA-N
分子式: C30H33N3O5
平均分子量: 515.6 g/mol
单同位素质量: 515.24202116

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 80.7 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 898

ALIASES

名称与别名

共 3 条

SCHEMBL2323536YMZGAPVJAPCIDE-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-2-{1-[(1-methoxynaphthalen-2-yl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

REACTIONS

参与反应

3 条

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09340522B2

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08609848B2

查看