1251704-69-4 ((N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide)

快速询单

结构式：

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamideMOL文件

CAS号：

1251704-69-4

英文名称：

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide

分子式：

C₂₃H₂₃N₅O₃

分子量：

417.460424661636

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide(1251704-69-4)名称与标识符

名称

英文别名：

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide;1251704-69-4;N-(2,3-dimethylphenyl)-2-(7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide;AKOS005721207;N-(2,3-dimethylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide;1-methyl-3-(4-methylbenzyl)-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione;N-(2,3-dimethylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide;F3406-8103;

标识符

InChIKey：

GIHGUGJNNUIVPZ-UHFFFAOYSA-N

Inchi：

1S/C23H23N5O3/c1-14-6-5-7-19(15(14)2)25-22(29)13-27-23(30)28-16(3)24-20(12-21(28)26-27)17-8-10-18(31-4)11-9-17/h5-12H,13H2,1-4H3,(H,25,29)

SMILES：

O=C1N(CC(NC2C=CC=C(C)C=2C)=O)N=C2C=C(C3C=CC(=CC=3)OC)N=C(C)N21

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide(1251704-69-4)物化性质

计算特性

精确分子量 : 417.18008961g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 417.18008961g/mol
重原子数量 : 31
复杂度 : 812
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.5
拓扑分子极性表面积 : 86.6Å²

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1251704-69-4 ((N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide)

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide(1251704-69-4)名称与标识符

名称

标识符

N-(2,3-dimethylphenyl)-2-7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-1,2,4triazolo4,3-cpyrimidin-2-ylacetamide(1251704-69-4)物化性质

计算特性

目录