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1325681-81-9 | 1H-Indazole-3-carboxamide, 1-(2-methylbenzoyl)-N-phenyl-
CAS No: 1325681-81-9 Catalog No: AG0010TQ MDL No:
Product Description
Catalog Number:
AG0010TQ
Chemical Name:
1H-Indazole-3-carboxamide, 1-(2-methylbenzoyl)-N-phenyl-
CAS Number:
1325681-81-9
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
1-(2-methylbenzoyl)-N-phenylindazole-3-carboxamide
InChI:
InChI=1S/C22H17N3O2/c1-15-9-5-6-12-17(15)22(27)25-19-14-8-7-13-18(19)20(24-25)21(26)23-16-10-3-2-4-11-16/h2-14H,1H3,(H,23,26)
InChI Key:
QQOFTTCJSNKCQQ-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c2c1cccc2)C(=O)c1ccccc1C)Nc1ccccc1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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