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820961-61-3 | Benzamide, N-(4,6-diphenyl-2-pyrimidinyl)-4-methyl-
CAS No: 820961-61-3 Catalog No: AG004X29 MDL No:
Product Description
Catalog Number:
AG004X29
Chemical Name:
Benzamide, N-(4,6-diphenyl-2-pyrimidinyl)-4-methyl-
CAS Number:
820961-61-3
Molecular Formula:
C24H19N3O
Molecular Weight:
365.4272
IUPAC Name:
N-(4,6-diphenylpyrimidin-2-yl)-4-methylbenzamide
InChI:
InChI=1S/C24H19N3O/c1-17-12-14-20(15-13-17)23(28)27-24-25-21(18-8-4-2-5-9-18)16-22(26-24)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,26,27,28)
InChI Key:
YDXULYYKHUFYDF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Nc1nc(cc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.436g/mol
Monoisotopic Mass:
365.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| 2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. | Journal of medicinal chemistry 20041216 |
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