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Home > Nitro Compounds > 831203-59-9
831203-59-9 | 2-Furancarboxamide, N-[4-(4-methyl-1-piperazinyl)phenyl]-5-nitro-
CAS No: 831203-59-9 Catalog No: AG0051JX MDL No:
Product Description
Catalog Number:
AG0051JX
Chemical Name:
2-Furancarboxamide, N-[4-(4-methyl-1-piperazinyl)phenyl]-5-nitro-
CAS Number:
831203-59-9
Molecular Formula:
C16H18N4O4
Molecular Weight:
330.3385
IUPAC Name:
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C16H18N4O4/c1-18-8-10-19(11-9-18)13-4-2-12(3-5-13)17-16(21)14-6-7-15(24-14)20(22)23/h2-7H,8-11H2,1H3,(H,17,21)
InChI Key:
ZURCFIJRQHMFCW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1)NC(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.344g/mol
Monoisotopic Mass:
330.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship studies on nitrofuranyl anti-tubercular agents. | Bioorganic & medicinal chemistry 20080901 |
| Nitrofurans as novel anti-tuberculosis agents: identification, development and evaluation. | Current topics in medicinal chemistry 20070101 |
| Synthesis and evaluation of cyclic secondary amine substituted phenyl and benzyl nitrofuranyl amides as novel antituberculosis agents. | Journal of medicinal chemistry 20051229 |
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