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86806-69-1 | N-[2-(2-bromo-4,6-dinitro-phenyl)diazenyl-5-(ethyl-(3-phenylpropyl)amino)phenyl]acetamide
CAS No: 86806-69-1 Catalog No: AG004J32 MDL No:
Product Description
Catalog Number:
AG004J32
Chemical Name:
N-[2-(2-bromo-4,6-dinitro-phenyl)diazenyl-5-(ethyl-(3-phenylpropyl)amino)phenyl]acetamide
CAS Number:
86806-69-1
Molecular Formula:
C25H25BrN6O5
Molecular Weight:
569.4072
IUPAC Name:
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
InChI:
InChI=1S/C25H25BrN6O5/c1-3-30(13-7-10-18-8-5-4-6-9-18)19-11-12-22(23(15-19)27-17(2)33)28-29-25-21(26)14-20(31(34)35)16-24(25)32(36)37/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,27,33)
InChI Key:
QTOMAVNNZJSYOV-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)NC(=O)C)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCc1ccccc1
EC Number:
289-280-5
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.107g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
569.416g/mol
Monoisotopic Mass:
568.107g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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