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113888-27-0 | 4(3H)-Quinazolinone, 2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-phenyl-
CAS No: 113888-27-0 Catalog No: AG0009ZC MDL No:
Product Description
Catalog Number:
AG0009ZC
Chemical Name:
4(3H)-Quinazolinone, 2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-phenyl-
CAS Number:
113888-27-0
Molecular Formula:
C24H20N2O3
Molecular Weight:
384.4272
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
InChI:
InChI=1S/C24H20N2O3/c1-28-21-14-12-17(16-22(21)29-2)13-15-23-25-20-11-7-6-10-19(20)24(27)26(23)18-8-4-3-5-9-18/h3-16H,1-2H3
InChI Key:
FQQLGGVOVRCRBE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C=Cc1nc2ccccc2c(=O)n1c1ccccc1
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.435g/mol
Monoisotopic Mass:
384.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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