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126759-27-1 | Benzamide, N-[1-[(diethylamino)carbonyl]-2-methylpropyl]-3,5-dinitro-
CAS No: 126759-27-1 Catalog No: AG000T76 MDL No:
Product Description
Catalog Number:
AG000T76
Chemical Name:
Benzamide, N-[1-[(diethylamino)carbonyl]-2-methylpropyl]-3,5-dinitro-
CAS Number:
126759-27-1
Molecular Formula:
C16H22N4O6
Molecular Weight:
366.3691
IUPAC Name:
N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dinitrobenzamide
InChI:
InChI=1S/C16H22N4O6/c1-5-18(6-2)16(22)14(10(3)4)17-15(21)11-7-12(19(23)24)9-13(8-11)20(25)26/h7-10,14H,5-6H2,1-4H3,(H,17,21)
InChI Key:
OMSDRKCRZCTRBU-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C(C(C)C)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.154g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.374g/mol
Monoisotopic Mass:
366.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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