Home Sulfos 5-(5-Methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

5-(5-Methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

CAS No.:
1570496-34-2
Catalog Number:
AG01E6SU
Molecular Formula:
C25H25F3N6O4S
Molecular Weight:
562.5640
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$362
- +
25mg
99%
1 week
United States
$682
- +
50mg
99%
1 week
United States
$960
- +
100mg
99%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG01E6SU
Chemical Name:
5-(5-Methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
CAS Number:
1570496-34-2
Molecular Formula:
C25H25F3N6O4S
Molecular Weight:
562.5640
MDL Number:
MFCD30489429
IUPAC Name:
5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3
InChI Key:
HWJWNWZJUYCGKV-UHFFFAOYSA-N
SMILES:
Cc1nc(nn1Cc1cccc(c1)N1CCC(CC1)S(=O)(=O)C)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
909  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.161g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.568g/mol
Monoisotopic Mass:
562.161g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties