6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline


Chemical Name: 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline
CAS Number: 1022150-57-7
Product Number: AG008TJH(AGN-PC-04R650)
Synonyms:
MDL No:
Molecular Formula: C18H13N7S
Molecular Weight: 359.4077

Identification/Properties


Computed Properties
Molecular Weight:
359.411g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
359.095g/mol
Monoisotopic Mass:
359.095g/mol
Topological Polar Surface Area:
99.1A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
494
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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