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88039-42-3 | 2(1H)-Pyrimidinone, 5-bromo-1-(4-methylphenyl)-4,6-diphenyl-
CAS No: 88039-42-3 Catalog No: AG004J6L MDL No:
Product Description
Catalog Number:
AG004J6L
Chemical Name:
2(1H)-Pyrimidinone, 5-bromo-1-(4-methylphenyl)-4,6-diphenyl-
CAS Number:
88039-42-3
Molecular Formula:
C23H17BrN2O
Molecular Weight:
417.2979
IUPAC Name:
5-bromo-1-(4-methylphenyl)-4,6-diphenylpyrimidin-2-one
InChI:
InChI=1S/C23H17BrN2O/c1-16-12-14-19(15-13-16)26-22(18-10-6-3-7-11-18)20(24)21(25-23(26)27)17-8-4-2-5-9-17/h2-15H,1H3
InChI Key:
HFAXKYQXZVLZMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(=O)nc(c(c1c1ccccc1)Br)c1ccccc1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.052g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.306g/mol
Monoisotopic Mass:
416.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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