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161374-08-9 | 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-, ethyl ester
CAS No: 161374-08-9 Catalog No: AG001SF8 MDL No:MFCD00186884
Product Description
Catalog Number:
AG001SF8
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-, ethyl ester
CAS Number:
161374-08-9
Molecular Formula:
C14H15N3O5
Molecular Weight:
305.2860
MDL Number:
MFCD00186884
IUPAC Name:
ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C14H15N3O5/c1-3-22-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(7-5-9)17(20)21/h4-7,12H,3H2,1-2H3,(H2,15,16,19)
InChI Key:
ZWSFKZZEYGSZRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.29g/mol
Monoisotopic Mass:
305.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid transporter FATP4. | Bioorganic & medicinal chemistry letters 20060701 |
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