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1325681-99-9 | 1H-Indazole-3-carboxamide, 1-(3-methoxybenzoyl)-N-phenyl-
CAS No: 1325681-99-9 Catalog No: AG0010UG MDL No:
Product Description
Catalog Number:
AG0010UG
Chemical Name:
1H-Indazole-3-carboxamide, 1-(3-methoxybenzoyl)-N-phenyl-
CAS Number:
1325681-99-9
Molecular Formula:
C22H17N3O3
Molecular Weight:
371.3887
IUPAC Name:
1-(3-methoxybenzoyl)-N-phenylindazole-3-carboxamide
InChI:
InChI=1S/C22H17N3O3/c1-28-17-11-7-8-15(14-17)22(27)25-19-13-6-5-12-18(19)20(24-25)21(26)23-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)
InChI Key:
MLQTZHQXIGJWGR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)n1nc(c2c1cccc2)C(=O)Nc1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.396g/mol
Monoisotopic Mass:
371.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Design, synthesis and evaluation of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. | Bioorganic & medicinal chemistry 20110801 |
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