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Home Carboxys 5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl ester

5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl ester

CAS No.:
33458-26-3
Catalog Number:
AG00I6L3
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
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Product Description
Catalog Number:
AG00I6L3
Chemical Name:
5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl ester
CAS Number:
33458-26-3
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
MDL Number:
MFCD00188414
IUPAC Name:
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)
InChI Key:
QMFBVGUFEGVPNG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1
NSC Number:
643910
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Free radical scavenging and antiproliferative properties of Biginelli adducts. Bioorganic & medicinal chemistry 20120415
Synthesis and in vitro evaluation of the antifungal activities of dihydropyrimidinones. Bioorganic & medicinal chemistry letters 20081215
Properties