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1325681-87-5 | 1H-Indazole-3-carboxamide, 1-(2-chlorobenzoyl)-N-phenyl-
CAS No: 1325681-87-5 Catalog No: AG0010UL MDL No:
Product Description
Catalog Number:
AG0010UL
Chemical Name:
1H-Indazole-3-carboxamide, 1-(2-chlorobenzoyl)-N-phenyl-
CAS Number:
1325681-87-5
Molecular Formula:
C21H14ClN3O2
Molecular Weight:
375.8078
IUPAC Name:
1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
InChI:
InChI=1S/C21H14ClN3O2/c22-17-12-6-4-10-15(17)21(27)25-18-13-7-5-11-16(18)19(24-25)20(26)23-14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChI Key:
PLXOVNCPSKMBMC-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c2c1cccc2)C(=O)c1ccccc1Cl)Nc1ccccc1
Properties
Complexity:
552
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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