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126245-05-4 | 4H-Imidazol-4-one, 3-[[(4-bromophenyl)methylene]amino]-3,5-dihydro-5-[(4-nitrophenyl)methylene]-2-phenyl-
CAS No: 126245-05-4 Catalog No: AG000SF9 MDL No:
Product Description
Catalog Number:
AG000SF9
Chemical Name:
4H-Imidazol-4-one, 3-[[(4-bromophenyl)methylene]amino]-3,5-dihydro-5-[(4-nitrophenyl)methylene]-2-phenyl-
CAS Number:
126245-05-4
Molecular Formula:
C23H15BrN4O3
Molecular Weight:
475.2942
IUPAC Name:
3-[(4-bromophenyl)methylideneamino]-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
InChI:
InChI=1S/C23H15BrN4O3/c24-19-10-6-17(7-11-19)15-25-27-22(18-4-2-1-3-5-18)26-21(23(27)29)14-16-8-12-20(13-9-16)28(30)31/h1-15H
InChI Key:
MMSJWIWIVOKGOX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=NN1C(=O)C(=Cc2ccc(cc2)[N+](=O)[O-])N=C1c1ccccc1
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.033g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
475.302g/mol
Monoisotopic Mass:
474.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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