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Hpgds-in-1

CAS No.:
1234708-04-3
Catalog Number:
AG009CIB
Molecular Formula:
C22H20N6O3
Molecular Weight:
416.4326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$473
- +
10mg
99%
1 week
United States
$682
- +
50mg
99%
1 week
United States
$2140
- +
Product Description
Catalog Number:
AG009CIB
Chemical Name:
Hpgds-in-1
CAS Number:
1234708-04-3
Molecular Formula:
C22H20N6O3
Molecular Weight:
416.4326
MDL Number:
MFCD28963902
IUPAC Name:
N-[[3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
InChI:
InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-7-5-6-14(10-15)11-26-20(29)16-12-24-19(25-13-16)17-8-3-4-9-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29)
InChI Key:
VJCLAPUACUQZOV-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(nc1)c1ccccn1)NCc1cccc(c1)c1noc(n1)C(O)(C)C
Properties
Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.16g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
416.441g/mol
Monoisotopic Mass:
416.16g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties