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477858-69-8 | 1-(6-methylpyridin-2-yl)-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-imidazole-4-carbohydrazide
CAS No: 477858-69-8 Catalog No: AG00INIG MDL No:MFCD02082696
Product Description
Catalog Number:
AG00INIG
Chemical Name:
1-(6-methylpyridin-2-yl)-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-imidazole-4-carbohydrazide
CAS Number:
477858-69-8
Molecular Formula:
C18H16N6O3
Molecular Weight:
364.3580
MDL Number:
MFCD02082696
IUPAC Name:
1-(6-methylpyridin-2-yl)-N-[1-(4-nitrophenyl)ethylideneamino]imidazole-4-carboxamide
InChI:
InChI=1S/C18H16N6O3/c1-12-4-3-5-17(20-12)23-10-16(19-11-23)18(25)22-21-13(2)14-6-8-15(9-7-14)24(26)27/h3-11H,1-2H3,(H,22,25)
InChI Key:
NIMUCSVYJOKOHT-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)n1cnc(c1)C(=O)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/C
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.365g/mol
Monoisotopic Mass:
364.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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