HCID59793501

4-(4-Methanesulfonyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(4-methylsulfonylphenyl)piperazine-1-carboxylate

C16H24N2O4S340.4 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: CC(C)(C)OC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1
InChIKey: KAEZHCYNXFSDDH-UHFFFAOYSA-N
分子式: C16H24N2O4S
平均分子量: 340.4 g/mol
单同位素质量: 340.14567842

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 75.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 505

ALIASES

名称与别名

共 4 条

SCHEMBL3923864KAEZHCYNXFSDDH-UHFFFAOYSA-N4-(4-Methanesulfonyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester4-(4-Methanesulfonyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

3 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427612B2

查看

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595314B2

查看

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

查看