HCID66909162

Methyl 2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoate

C18H22N2O4S362.4 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: COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)C
InChIKey: GWWCROQJURHGNR-UHFFFAOYSA-N
分子式: C18H22N2O4S
平均分子量: 362.4 g/mol
单同位素质量: 362.13002836

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 107 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 7
重原子: 25
形式电荷: 0
复杂度: 528

ALIASES

名称与别名

共 1 条

SCHEMBL1110930

REACTIONS

相关反应

15 条

HRID 104710 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 140512 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 196108 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 288830 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 1201950 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1205533 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1218780 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1544555 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D