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28567-85-3 | 2(1H)-Pyrimidinone, 5-phenoxy-4,6-diphenyl-
CAS No: 28567-85-3 Catalog No: AG002VQG MDL No:
Product Description
Catalog Number:
AG002VQG
Chemical Name:
2(1H)-Pyrimidinone, 5-phenoxy-4,6-diphenyl-
CAS Number:
28567-85-3
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
5-phenoxy-4,6-diphenyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C22H16N2O2/c25-22-23-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(24-22)17-12-6-2-7-13-17/h1-15H,(H,23,24,25)
InChI Key:
QYVNXRCFSSNQMR-UHFFFAOYSA-N
SMILES:
O=c1nc(c2ccccc2)c(c([nH]1)c1ccccc1)Oc1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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