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1325681-80-8 | 1H-Indazole-3-carboxamide, 1-benzoyl-N-phenyl-
CAS No: 1325681-80-8 Catalog No: AG0010TR MDL No:
Product Description
Catalog Number:
AG0010TR
Chemical Name:
1H-Indazole-3-carboxamide, 1-benzoyl-N-phenyl-
CAS Number:
1325681-80-8
Molecular Formula:
C21H15N3O2
Molecular Weight:
341.3627
IUPAC Name:
1-benzoyl-N-phenylindazole-3-carboxamide
InChI:
InChI=1S/C21H15N3O2/c25-20(22-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24(23-19)21(26)15-9-3-1-4-10-15/h1-14H,(H,22,25)
InChI Key:
JFOMBLRSRUFMKX-UHFFFAOYSA-N
SMILES:
O=C(n1nc(c2c1cccc2)C(=O)Nc1ccccc1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.37g/mol
Monoisotopic Mass:
341.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^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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