1010820-68-4 (ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate,Ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate)

快速询单

结构式：

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylateMOL文件

CAS号：

1010820-68-4

中文名称：

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

英文名称：

Ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

安全信息：

分子式：

C₁₉H₂₃BrN₂O₅

分子量：

439.300324678421

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate(1010820-68-4)名称与标识符

名称

中文别名：

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate;

英文别名：

Ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate;4-(4-Bromophenyl)-5-(ethoxycarbonyl)-3,4-dihydro-6-methyl-2-oxo-1(2H)-pyrimidinebutanoic acid methyl ester;SW02;CHEMBL404587;ethyl 4-(4-bromophenyl)-1-(4-methoxy-4-oxobutyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;1010820-68-4;HY-138820;DTXSID80659171;CCG-208770;

标识符

MDL：

MFCD17215960

InChIKey：

YFZRMRYVWWUQME-UHFFFAOYSA-N

Inchi：

1S/C19H23BrN2O5/c1-4-27-18(24)16-12(2)22(11-5-6-15(23)26-3)19(25)21-17(16)13-7-9-14(20)10-8-13/h7-10,17H,4-6,11H2,1-3H3,(H,21,25)

SMILES：

BrC1C=CC(=CC=1)C1C(C(=O)OCC)=C(C)N(C(N1)=O)CCCC(=O)OC

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate(1010820-68-4)物化性质

计算特性

精确分子量 : 438.07903g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 9
同位素质量 : 438.07903g/mol
重原子数量 : 27
复杂度 : 599
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 : 1
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） : 2.4
拓扑分子极性表面积 : 84.9Å²
分子量 : 439.3g/mol

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate(1010820-68-4)安全信息

ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate(1010820-68-4)相关文献

1. Nucleophilic heterocyclic carbene promoted one pot multicomponent synthesis of new 6-(1H-indol-3-yl)-2-oxo-4-aryl-1,2,3,4 tetrahydropyrimidine-5-carbonitriles: an eco-compatible approach with PEG as a biodegradable medium
Shahin Fatma,Divya Singh,Priya Mishra,Pravin K. Singh,Preyas Ankit,Mandavi Singh,J. Singh RSC Adv. 2013 3 22527
2. Heat shock proteins in the context of photodynamic therapy: autophagy, apoptosis and immunogenic cell death
Matías E. Rodríguez,Ingrid S. Cogno,Laura S. Milla Sanabria,Yanina S. Morán,Viviana A. Rivarola Photochem. Photobiol. Sci. 2016 15 1090
3. Fluid bridges confined between chemically nanopatterned solid substrates
Martin Schoen Phys. Chem. Chem. Phys. 2008 10 223

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