2-(((2S,3R)-3-Methyl-1-(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)benzoyl)piperidin-2-yl)methyl)isoindoline-1,3-dione

HCID 117727726

基本信息

标准SMILES
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@@H](C)[C@H]2CN2C(=O)c3ccccc3C2=O)c1
InChIKey
YDUDEGFZZRQFAW-HOYKHHGWSA-N
分子式
C27H28N4O3
平均分子量
456.5 g/mol

名称与标识

首选名称
2-(((2S,3R)-3-Methyl-1-(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)benzoyl)piperidin-2-yl)methyl)isoindoline-1,3-dione
IUPAC
2-[[(2S,3R)-3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methyl]isoindole-1,3-dione

名称与别名

SCHEMBL16277389YDUDEGFZZRQFAW-HOYKHHGWSA-N2-(((2S,3R)-3-Methyl-1-(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)benzoyl)piperidin-2-yl)methyl)isoindoline-1,3-dione

数据库标识

PubChem CID
117727726

性质

结构计算性质

XLogP
3.7
极性表面积
75.5 Ų
氢键供体
0
氢键受体
4
可旋转键
4
重原子
34

相关反应

5 条

关联笔记

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