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Home > Nitro Compounds > 207279-23-0
207279-23-0 | Benzoic acid, 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]-
CAS No: 207279-23-0 Catalog No: AG002IXS MDL No:
Product Description
Catalog Number:
AG002IXS
Chemical Name:
Benzoic acid, 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]-
CAS Number:
207279-23-0
Molecular Formula:
C21H13N3O4
Molecular Weight:
371.3456
IUPAC Name:
4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
InChI:
InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
InChI Key:
QTNUWEKKZHSUQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nc(cc2c1nccc2)c1ccc(cc1)C(=O)O
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.352g/mol
Monoisotopic Mass:
371.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease. | Journal of medicinal chemistry 20080925 |
| Synthesis of 4-(8-benzo[1,2,5]oxadiazol-5-yl-[1,7]naphthyridine-6-yl)-benzoic acid: a potent and selective phosphodiesterase type 4D inhibitor. | Bioorganic & medicinal chemistry letters 20020121 |
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