Home Carboxys 4,6-diphenyl-pyriMidine-2-carboxylic acid

4,6-diphenyl-pyriMidine-2-carboxylic acid

CAS No.:
6483-96-1
Catalog Number:
AG00F3UU
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
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Product Description
Catalog Number:
AG00F3UU
Chemical Name:
4,6-diphenyl-pyriMidine-2-carboxylic acid
CAS Number:
6483-96-1
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
MDL Number:
MFCD00194910
IUPAC Name:
4,6-diphenylpyrimidine-2-carboxylic acid
InChI:
InChI=1S/C17H12N2O2/c20-17(21)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChI Key:
DEAYYMLJCJMWHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(cc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties