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84546-41-8 | 6-bromo-2-methyl-3-(4-{[(e)-phenylmethylidene]amino}phenyl)quinazolin-4(3h)-one
CAS No: 84546-41-8 Catalog No: AG004RA8 MDL No:
Product Description
Catalog Number:
AG004RA8
Chemical Name:
6-bromo-2-methyl-3-(4-{[(e)-phenylmethylidene]amino}phenyl)quinazolin-4(3h)-one
CAS Number:
84546-41-8
Molecular Formula:
C22H16BrN3O
Molecular Weight:
418.2859
IUPAC Name:
3-[4-(benzylideneamino)phenyl]-6-bromo-2-methylquinazolin-4-one
InChI:
InChI=1S/C22H16BrN3O/c1-15-25-21-12-7-17(23)13-20(21)22(27)26(15)19-10-8-18(9-11-19)24-14-16-5-3-2-4-6-16/h2-14H,1H3
InChI Key:
WJTLFMBAFYSQJM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(c(n2)C)c1ccc(cc1)/N=C/c1ccccc1
NSC Number:
90889
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.048g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.294g/mol
Monoisotopic Mass:
417.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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