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Home > Fluorides > 1291486-96-8
1291486-96-8 | 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 8-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-
CAS No: 1291486-96-8 Catalog No: AG000YVU MDL No:MFCD18804067
Product Description
Catalog Number:
AG000YVU
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 8-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-
CAS Number:
1291486-96-8
Molecular Formula:
C16H16FN5O3S
Molecular Weight:
377.3933
MDL Number:
MFCD18804067
IUPAC Name:
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C16H16FN5O3S/c17-12-3-5-13(6-4-12)20-8-10-21(11-9-20)26(24,25)14-2-1-7-22-15(14)18-19-16(22)23/h1-7H,8-11H2,(H,19,23)
InChI Key:
RAPBJMOEICROBN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccn2c1n[nH]c2=O
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.394g/mol
Monoisotopic Mass:
377.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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