HCID67220627

1,3-Dioxane-4,6-dione, 5-[[[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl]amino]methylene]-2,2-dimethyl-

5-[[[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C18H19N3O5357.4 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(Cn2nccc2NC=C2C(=O)OC(C)(C)OC2=O)cc1
InChIKey: LBTSTNKBKYTZFF-UHFFFAOYSA-N
分子式: C18H19N3O5
平均分子量: 357.4 g/mol
单同位素质量: 357.13247072

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 91.7 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 26
形式电荷: 0
复杂度: 547

ALIASES

名称与别名

共 16 条

949556-46-11,3-Dioxane-4,6-dione, 5-[[[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl]amino]methylene]-2,2-dimethyl-5-(((1-(4-methoxybenzyl)-1H-pyrazol-5-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-(((1-(4-Methoxybenzyl)-1H-pyrazol-5-yl)amino)-methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[({1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}amino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-[[[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-((1-(4-methoxybenzyl)-1H-pyrazol-5-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dioneSCHEMBL1943409LBTSTNKBKYTZFF-UHFFFAOYSA-NMFCD27976547AKOS027420948AS-74790DB-212866CS-0038006W126495-[[[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

REACTIONS

参与反应

4 条

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09260426B2

查看

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09260426B2

查看

uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07723330B2

查看

uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07723330B2

查看