HCID21991399

(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonylo xy-methyl-2H-pyridazin-3-one

[6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl] methanesulfonate

C17H21FN2O5S384.4 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: COc1ccc(-c2nn(CC(C)C)c(=O)c(OS(C)(=O)=O)c2C)cc1F
InChIKey: OXONTVYPLLCBHA-UHFFFAOYSA-N
分子式: C17H21FN2O5S
平均分子量: 384.4 g/mol
单同位素质量: 384.11552111

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 93.7 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 6
重原子: 26
形式电荷: 0
复杂度: 711

ALIASES

名称与别名

共 6 条

SCHEMBL1924698OXONTVYPLLCBHA-UHFFFAOYSA-N(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonylo xy-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonyloxy-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methanesulfonylox y-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methanesulfonyloxy-methyl-2H-pyridazin-3-one

REACTIONS

参与反应

2 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087606B2

查看

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087606B2

查看