Home Halogens 1,2,4-Oxadiazol-5(4H)-one, 4-(3-bromo-4-fluorophenyl)-3-[4-[[2-(methylthio)ethyl]amino]-1,2,5-oxadiazol-3-yl]-

1,2,4-Oxadiazol-5(4H)-one, 4-(3-bromo-4-fluorophenyl)-3-[4-[[2-(methylthio)ethyl]amino]-1,2,5-oxadiazol-3-yl]-

CAS No.:
1888341-29-4
Catalog Number:
AG002HDV
Molecular Formula:
C13H11BrFN5O3S
Molecular Weight:
416.2255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$404
- +
5mg
99%
1 week
United States
$1098
- +
10mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG002HDV
Chemical Name:
1,2,4-Oxadiazol-5(4H)-one, 4-(3-bromo-4-fluorophenyl)-3-[4-[[2-(methylthio)ethyl]amino]-1,2,5-oxadiazol-3-yl]-
CAS Number:
1888341-29-4
Molecular Formula:
C13H11BrFN5O3S
Molecular Weight:
416.2255
IUPAC Name:
4-(3-bromo-4-fluorophenyl)-3-[4-(2-methylsulfanylethylamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C13H11BrFN5O3S/c1-24-5-4-16-11-10(17-23-18-11)12-19-22-13(21)20(12)7-2-3-9(15)8(14)6-7/h2-3,6H,4-5H2,1H3,(H,16,18)
InChI Key:
OOHHWEREOQPCCR-UHFFFAOYSA-N
SMILES:
CSCCNc1nonc1c1noc(=O)n1c1ccc(c(c1)Br)F
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.975g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
416.225g/mol
Monoisotopic Mass:
414.975g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties