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83536-75-8 | 4H-Imidazol-4-one,3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-5-(naphthalenylmethylene)-2-phenyl-(9CI)
CAS No: 83536-75-8 Catalog No: AG0058N8 MDL No:
Product Description
Catalog Number:
AG0058N8
Chemical Name:
4H-Imidazol-4-one,3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-5-(naphthalenylmethylene)-2-phenyl-(9CI)
CAS Number:
83536-75-8
Molecular Formula:
C27H19N3O4
Molecular Weight:
449.4575
IUPAC Name:
3-(2-methoxy-4-nitrophenyl)-5-(naphthalen-1-ylmethylidene)-2-phenylimidazol-4-one
InChI:
InChI=1S/C27H19N3O4/c1-34-25-17-21(30(32)33)14-15-24(25)29-26(19-9-3-2-4-10-19)28-23(27(29)31)16-20-12-7-11-18-8-5-6-13-22(18)20/h2-17H,1H3
InChI Key:
HYKGQGAQRCMRQB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N1C(=O)C(=Cc2cccc3c2cccc3)N=C1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.138g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.466g/mol
Monoisotopic Mass:
449.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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