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Home > Pyridines > 1325305-79-0
1325305-79-0 | N-[4-(propan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CAS No: 1325305-79-0 Catalog No: AG00J0KI MDL No:MFCD19104893
Product Description
Catalog Number:
AG00J0KI
Chemical Name:
N-[4-(propan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CAS Number:
1325305-79-0
Molecular Formula:
C15H16N4O2S
Molecular Weight:
316.3781
MDL Number:
MFCD19104893
IUPAC Name:
N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
InChI:
InChI=1S/C15H16N4O2S/c1-11(2)12-5-7-13(8-6-12)18-22(20,21)14-4-3-9-19-10-16-17-15(14)19/h3-11,18H,1-2H3
InChI Key:
KVCDPCCHTPJLER-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)NS(=O)(=O)c1cccn2c1nnc2)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.379g/mol
Monoisotopic Mass:
316.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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