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126759-12-4 | Benzamide, N-[2-methyl-1-[(propylamino)carbonyl]propyl]-3,5-dinitro-
CAS No: 126759-12-4 Catalog No: AG000T78 MDL No:
Product Description
Catalog Number:
AG000T78
Chemical Name:
Benzamide, N-[2-methyl-1-[(propylamino)carbonyl]propyl]-3,5-dinitro-
CAS Number:
126759-12-4
Molecular Formula:
C15H20N4O6
Molecular Weight:
352.3425
IUPAC Name:
N-[3-methyl-1-oxo-1-(propylamino)butan-2-yl]-3,5-dinitrobenzamide
InChI:
InChI=1S/C15H20N4O6/c1-4-5-16-15(21)13(9(2)3)17-14(20)10-6-11(18(22)23)8-12(7-10)19(24)25/h6-9,13H,4-5H2,1-3H3,(H,16,21)(H,17,20)
InChI Key:
TZTHLBFAVSIRHC-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C(C(C)C)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.347g/mol
Monoisotopic Mass:
352.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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