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GSK-5498A

CAS No.:
1253186-49-0
Catalog Number:
AG009CI6
Molecular Formula:
C18H11F6N3O
Molecular Weight:
399.2899
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG009CI6
Chemical Name:
GSK-5498A
CAS Number:
1253186-49-0
Molecular Formula:
C18H11F6N3O
Molecular Weight:
399.2899
MDL Number:
MFCD28385869
IUPAC Name:
2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
InChI:
InChI=1S/C18H11F6N3O/c19-12-4-1-3-11(18(22,23)24)10(12)9-27-8-7-15(26-27)25-17(28)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,25,26,28)
InChI Key:
AUBGZAJDHUHMAE-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)cccc1F)Nc1ccn(n1)Cc1c(F)cccc1C(F)(F)F
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.081g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.296g/mol
Monoisotopic Mass:
399.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties