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Home > Nitro Compounds > 831203-75-9
831203-75-9 | 2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-
CAS No: 831203-75-9 Catalog No: AG004WCX MDL No:
Product Description
Catalog Number:
AG004WCX
Chemical Name:
2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-
CAS Number:
831203-75-9
Molecular Formula:
C16H17N3O4S
Molecular Weight:
347.3889
IUPAC Name:
5-nitro-N-[(4-thiomorpholin-4-ylphenyl)methyl]furan-2-carboxamide
InChI:
InChI=1S/C16H17N3O4S/c20-16(14-5-6-15(23-14)19(21)22)17-11-12-1-3-13(4-2-12)18-7-9-24-10-8-18/h1-6H,7-11H2,(H,17,20)
InChI Key:
UNYCPMWPQCQVDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])NCc1ccc(cc1)N1CCSCC1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.389g/mol
Monoisotopic Mass:
347.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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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