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Home > Other Building Blocks > 88317-17-3
88317-17-3 | 4(1H)-Pyrimidinone, 1-(4-methoxyphenyl)-2,5,6-triphenyl-
CAS No: 88317-17-3 Catalog No: AG0047RS MDL No:
Product Description
Catalog Number:
AG0047RS
Chemical Name:
4(1H)-Pyrimidinone, 1-(4-methoxyphenyl)-2,5,6-triphenyl-
CAS Number:
88317-17-3
Molecular Formula:
C29H22N2O2
Molecular Weight:
430.4972
IUPAC Name:
1-(4-methoxyphenyl)-2,5,6-triphenylpyrimidin-4-one
InChI:
InChI=1S/C29H22N2O2/c1-33-25-19-17-24(18-20-25)31-27(22-13-7-3-8-14-22)26(21-11-5-2-6-12-21)29(32)30-28(31)23-15-9-4-10-16-23/h2-20H,1H3
InChI Key:
NFPFUPGZXIUFFL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(nc(=O)c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.168g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.507g/mol
Monoisotopic Mass:
430.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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