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Home > Nitro Compounds > 779327-02-5
779327-02-5 | 2-Furancarboxamide, N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-
CAS No: 779327-02-5 Catalog No: AG005EAE MDL No:
Product Description
Catalog Number:
AG005EAE
Chemical Name:
2-Furancarboxamide, N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-
CAS Number:
779327-02-5
Molecular Formula:
C14H14N2O6
Molecular Weight:
306.2708
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C14H14N2O6/c1-20-10-4-3-9(7-12(10)21-2)8-15-14(17)11-5-6-13(22-11)16(18)19/h3-7H,8H2,1-2H3,(H,15,17)
InChI Key:
CEAFNCIWVHEPAM-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)c2ccc(o2)[N+](=O)[O-])ccc1OC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.274g/mol
Monoisotopic Mass:
306.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents. | Journal of medicinal chemistry 20041007 |
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