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Home > Imidazoles > 110579-18-5
110579-18-5 | Acetamide,2-[[2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl]sulfonyl]-
CAS No: 110579-18-5 Catalog No: AG007USP MDL No:
Product Description
Catalog Number:
AG007USP
Chemical Name:
Acetamide,2-[[2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl]sulfonyl]-
CAS Number:
110579-18-5
Molecular Formula:
C13H14N4O5S
Molecular Weight:
338.3391
IUPAC Name:
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfonylacetamide
InChI:
InChI=1S/C13H14N4O5S/c1-9-15-12(17(19)20)13(23(21,22)8-11(14)18)16(9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,18)
InChI Key:
STEWSPJNLNKNKN-UHFFFAOYSA-N
SMILES:
NC(=O)CS(=O)(=O)c1c(nc(n1Cc1ccccc1)C)[N+](=O)[O-]
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.338g/mol
Monoisotopic Mass:
338.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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