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1325681-90-0 | 1H-Indazole-3-carboxamide, 1-(4-chlorobenzoyl)-N-phenyl-
CAS No: 1325681-90-0 Catalog No: AG0010UJ MDL No:
Product Description
Catalog Number:
AG0010UJ
Chemical Name:
1H-Indazole-3-carboxamide, 1-(4-chlorobenzoyl)-N-phenyl-
CAS Number:
1325681-90-0
Molecular Formula:
C21H14ClN3O2
Molecular Weight:
375.8078
IUPAC Name:
1-(4-chlorobenzoyl)-N-phenylindazole-3-carboxamide
InChI:
InChI=1S/C21H14ClN3O2/c22-15-12-10-14(11-13-15)21(27)25-18-9-5-4-8-17(18)19(24-25)20(26)23-16-6-2-1-3-7-16/h1-13H,(H,23,26)
InChI Key:
ITULETHJCQHMFB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)n1nc(c2c1cccc2)C(=O)Nc1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.077g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.812g/mol
Monoisotopic Mass:
375.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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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