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88538-92-5 | 4(3H)-Quinazolinone, 2-methyl-3-[4-(4-methylphenoxy)phenyl]-
CAS No: 88538-92-5 Catalog No: AG004FZI MDL No:
Product Description
Catalog Number:
AG004FZI
Chemical Name:
4(3H)-Quinazolinone, 2-methyl-3-[4-(4-methylphenoxy)phenyl]-
CAS Number:
88538-92-5
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
2-methyl-3-[4-(4-methylphenoxy)phenyl]quinazolin-4-one
InChI:
InChI=1S/C22H18N2O2/c1-15-7-11-18(12-8-15)26-19-13-9-17(10-14-19)24-16(2)23-21-6-4-3-5-20(21)22(24)25/h3-14H,1-2H3
InChI Key:
VMELKNZVLKOVEK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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