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Home > Nitro Compounds > 85513-23-1
85513-23-1 | Benzamide, N,N'-1,2-ethanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS No: 85513-23-1 Catalog No: AG004MR7 MDL No:
Product Description
Catalog Number:
AG004MR7
Chemical Name:
Benzamide, N,N'-1,2-ethanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS Number:
85513-23-1
Molecular Formula:
C32H30N4O8
Molecular Weight:
598.6026
IUPAC Name:
4-methyl-N-[2-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]ethyl]-2-nitro-3-phenylmethoxybenzamide
InChI:
InChI=1S/C32H30N4O8/c1-21-13-15-25(27(35(39)40)29(21)43-19-23-9-5-3-6-10-23)31(37)33-17-18-34-32(38)26-16-14-22(2)30(28(26)36(41)42)44-20-24-11-7-4-8-12-24/h3-16H,17-20H2,1-2H3,(H,33,37)(H,34,38)
InChI Key:
VZYJOQWCZDNVRI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C)NCCNC(=O)c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C
Properties
Complexity:
883
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.206g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
598.612g/mol
Monoisotopic Mass:
598.206g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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