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Home > Imidazoles > 154094-93-6
154094-93-6 | 1H-Imidazole-1-hexanamide,N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-
CAS No: 154094-93-6 Catalog No: AG007XS3 MDL No:
Product Description
Catalog Number:
AG007XS3
Chemical Name:
1H-Imidazole-1-hexanamide,N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-
CAS Number:
154094-93-6
Molecular Formula:
C15H21N7O5
Molecular Weight:
379.3711
IUPAC Name:
N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-6-(2-nitroimidazol-1-yl)hexanamide
InChI:
InChI=1S/C15H21N7O5/c1-12-18-11-14(21(24)25)20(12)10-7-16-13(23)5-3-2-4-8-19-9-6-17-15(19)22(26)27/h6,9,11H,2-5,7-8,10H2,1H3,(H,16,23)
InChI Key:
WRXSMKZZMUUQDT-UHFFFAOYSA-N
SMILES:
O=C(NCCn1c(C)ncc1[N+](=O)[O-])CCCCCn1ccnc1[N+](=O)[O-]
NSC Number:
642500
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.16g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.377g/mol
Monoisotopic Mass:
379.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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