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121583-00-4

121583-00-4 | 4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide

CAS No: 121583-00-4 Catalog No: AG00INVL MDL No:MFCD00141144

Product Description

Catalog Number:
AG00INVL
Chemical Name:
4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
CAS Number:
121583-00-4
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD00141144
IUPAC Name:
4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide
InChI:
InChI=1S/C11H9N3O3/c12-11(17)10-8(15)6-9(16)14(13-10)7-4-2-1-3-5-7/h1-6,15H,(H2,12,17)
InChI Key:
AIINGFYSVHNOOZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c2ccccc2)c(=O)cc1O

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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