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Home > Nitro Compounds > 779327-03-6
779327-03-6 | 2-Furancarboxamide, 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 779327-03-6 Catalog No: AG0056IF MDL No:
Product Description
Catalog Number:
AG0056IF
Chemical Name:
2-Furancarboxamide, 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
779327-03-6
Molecular Formula:
C15H16N2O7
Molecular Weight:
336.2967
IUPAC Name:
5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
InChI:
InChI=1S/C15H16N2O7/c1-21-11-6-9(7-12(22-2)14(11)23-3)8-16-15(18)10-4-5-13(24-10)17(19)20/h4-7H,8H2,1-3H3,(H,16,18)
InChI Key:
HVQGBSVGOJUTCJ-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)c2ccc(o2)[N+](=O)[O-])cc(c1OC)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.3g/mol
Monoisotopic Mass:
336.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^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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