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Home > Nitro Compounds > 126395-25-3
126395-25-3 | Benzamide, 2,4,6-trihydroxy-3-nitro-N-tridecyl-
CAS No: 126395-25-3 Catalog No: AG000SQC MDL No:
Product Description
Catalog Number:
AG000SQC
Chemical Name:
Benzamide, 2,4,6-trihydroxy-3-nitro-N-tridecyl-
CAS Number:
126395-25-3
Molecular Formula:
C20H32N2O6
Molecular Weight:
396.4779
IUPAC Name:
2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
InChI:
InChI=1S/C20H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-20(26)17-15(23)14-16(24)18(19(17)25)22(27)28/h14,23-25H,2-13H2,1H3,(H,21,26)
InChI Key:
MSWMANFKQVMQAR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCNC(=O)c1c(O)cc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
396.484g/mol
Monoisotopic Mass:
396.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Literature
| Title | Journal |
|---|---|
| Control of hepatitis C: a medicinal chemistry perspective. | Journal of medicinal chemistry 20050113 |
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