化学科研者一站式服务平台
化合物简介
基本信息
CAS:53219-37-7
中文别名:
英文别名:2,6-dimethyl-1,4-diphenyl-3,5-bis(ethoxycarbonyl)-1,4-dihydropyridine;2,6-Dimethyl-1,4-diphenyl-1,4-dihydro-pyridin-3,5-dicarbonsaeure-diaethylester;diethyl 1,4-dihydro-2,6-dimethyl-1,4-diphenyl-3,5-pyridinedicarboxylate;1,4-diphenyl-2,6-dimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridine;diethyl 2,6-dimethyl-1,4-diphenyldihydropyridine-3,5-dicarboxylate;2,6-dimethyl-1,4-diphenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester;N-phenyl-2,6-dimethyl-4-phenyl-3,5-dicarbethoxy-1,4-dihydropyridine;
分子式:C25H27NO4
分子量:405.486
精确质量:405.194
Psa:55.84
Logp:5.0296
中文别名:
英文别名:2,6-dimethyl-1,4-diphenyl-3,5-bis(ethoxycarbonyl)-1,4-dihydropyridine;2,6-Dimethyl-1,4-diphenyl-1,4-dihydro-pyridin-3,5-dicarbonsaeure-diaethylester;diethyl 1,4-dihydro-2,6-dimethyl-1,4-diphenyl-3,5-pyridinedicarboxylate;1,4-diphenyl-2,6-dimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridine;diethyl 2,6-dimethyl-1,4-diphenyldihydropyridine-3,5-dicarboxylate;2,6-dimethyl-1,4-diphenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester;N-phenyl-2,6-dimethyl-4-phenyl-3,5-dicarbethoxy-1,4-dihydropyridine;
分子式:C25H27NO4
分子量:405.486
精确质量:405.194
Psa:55.84
Logp:5.0296
编号系统
物化性质
计算化学:
1.疏水参数计算参考值(XlogP):5
2.氢键供体数量:0
3.氢键受体数量:5
4.可旋转化学键数量:8
5.互变异构体数量:无
6.拓扑分子极性表面积55.8
7.重原子数量:30
8.表面电荷:0
9.复杂度:654
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
安全信息
海关编码:2933399090
生产方法及用途
合成路线
-
参考文献
Singh, Harjit; Sarin, Rakesh; Singh, Kamaljit Heterocycles, 1986 , vol. 24, # 11 p. 3039 - 3042
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict











