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147086-48-4 | 4(3H)-Quinazolinone, 2-methyl-3-[4-(1-oxo-3-phenyl-2-propen-1-yl)phenyl]-
CAS No: 147086-48-4 Catalog No: AG001ELG MDL No:
Product Description
Catalog Number:
AG001ELG
Chemical Name:
4(3H)-Quinazolinone, 2-methyl-3-[4-(1-oxo-3-phenyl-2-propen-1-yl)phenyl]-
CAS Number:
147086-48-4
Molecular Formula:
C24H18N2O2
Molecular Weight:
366.4119
IUPAC Name:
2-methyl-3-[4-(3-phenylprop-2-enoyl)phenyl]quinazolin-4-one
InChI:
InChI=1S/C24H18N2O2/c1-17-25-22-10-6-5-9-21(22)24(28)26(17)20-14-12-19(13-15-20)23(27)16-11-18-7-3-2-4-8-18/h2-16H,1H3
InChI Key:
KKBRKAIEZYKGAL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1c(C)nc2c(c1=O)cccc2)C=Cc1ccccc1
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.137g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.42g/mol
Monoisotopic Mass:
366.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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