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Home > Nitro Compounds > 779327-07-0
779327-07-0 | 2-Furancarboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-
CAS No: 779327-07-0 Catalog No: AG005EAC MDL No:
Product Description
Catalog Number:
AG005EAC
Chemical Name:
2-Furancarboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-
CAS Number:
779327-07-0
Molecular Formula:
C15H16N2O6
Molecular Weight:
320.2973
IUPAC Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C15H16N2O6/c1-21-11-4-3-10(9-13(11)22-2)7-8-16-15(18)12-5-6-14(23-12)17(19)20/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChI Key:
BAUAEOIRUYRRSQ-UHFFFAOYSA-N
SMILES:
COc1cc(CCNC(=O)c2ccc(o2)[N+](=O)[O-])ccc1OC
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.301g/mol
Monoisotopic Mass:
320.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Nitrofurans as novel anti-tuberculosis agents: identification, development and evaluation. | Current topics in medicinal chemistry 20070101 |
| Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents. | Journal of medicinal chemistry 20041007 |
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