Home Sulfos 2-(2-Ethoxy-5-(piperazin-1-ylsulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

2-(2-Ethoxy-5-(piperazin-1-ylsulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

CAS No.:
448184-46-1
Catalog Number:
AG00DANY
Molecular Formula:
C21H28N6O4S
Molecular Weight:
460.5498
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$123
- +
5mg
≥98%
1 week
United States
$248
- +
Product Description
Catalog Number:
AG00DANY
Chemical Name:
2-(2-Ethoxy-5-(piperazin-1-ylsulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one
CAS Number:
448184-46-1
Molecular Formula:
C21H28N6O4S
Molecular Weight:
460.5498
MDL Number:
MFCD09840348
IUPAC Name:
2-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C21H28N6O4S/c1-4-6-18-23-14(3)19-21(28)24-20(25-27(18)19)16-13-15(7-8-17(16)31-5-2)32(29,30)26-11-9-22-10-12-26/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,24,25,28)
InChI Key:
OKUKNGDVADFTHE-UHFFFAOYSA-N
SMILES:
CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1)C
UNII:
NEP2V4E7Q2
Properties
Complexity:
810  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.189g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
460.553g/mol
Monoisotopic Mass:
460.189g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties