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88538-81-2 | 4(3H)-Quinazolinone, 3-[4-(2-methylphenoxy)phenyl]-2-phenyl-
CAS No: 88538-81-2 Catalog No: AG004567 MDL No:
Product Description
Catalog Number:
AG004567
Chemical Name:
4(3H)-Quinazolinone, 3-[4-(2-methylphenoxy)phenyl]-2-phenyl-
CAS Number:
88538-81-2
Molecular Formula:
C27H20N2O2
Molecular Weight:
404.4599
IUPAC Name:
3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
InChI:
InChI=1S/C27H20N2O2/c1-19-9-5-8-14-25(19)31-22-17-15-21(16-18-22)29-26(20-10-3-2-4-11-20)28-24-13-7-6-12-23(24)27(29)30/h2-18H,1H3
InChI Key:
JCDALIFPFDBZDG-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Oc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.152g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.469g/mol
Monoisotopic Mass:
404.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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