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Home Carboxys ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

CAS No.:
5937-24-6
Catalog Number:
AG00EFUO
Molecular Formula:
C14H15FN2O3
Molecular Weight:
278.2789
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Product Description
Catalog Number:
AG00EFUO
Chemical Name:
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS Number:
5937-24-6
Molecular Formula:
C14H15FN2O3
Molecular Weight:
278.2789
MDL Number:
MFCD00500223
IUPAC Name:
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H15FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
InChI Key:
QGHWHUHDQUDRRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)F
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.283g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Free radical scavenging and antiproliferative properties of Biginelli adducts. Bioorganic & medicinal chemistry 20120415
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties