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结构：COc1ccc(Cn2nccc2NC=C2C(=O)OC(C)(C)OC2=O)cc1
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
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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 Ų
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

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂