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93356-12-8 | 2-Naphthalenesulfonamide, N-(3,5-diphenyl-4H-1,2,4-triazol-4-yl)-
CAS No: 93356-12-8 Catalog No: AG006GTJ MDL No:
Product Description
Catalog Number:
AG006GTJ
Chemical Name:
2-Naphthalenesulfonamide, N-(3,5-diphenyl-4H-1,2,4-triazol-4-yl)-
CAS Number:
93356-12-8
Molecular Formula:
C24H18N4O2S
Molecular Weight:
426.4903
IUPAC Name:
N-(3,5-diphenyl-1,2,4-triazol-4-yl)naphthalene-2-sulfonamide
InChI:
InChI=1S/C24H18N4O2S/c29-31(30,22-16-15-18-9-7-8-14-21(18)17-22)27-28-23(19-10-3-1-4-11-19)25-26-24(28)20-12-5-2-6-13-20/h1-17,27H
InChI Key:
GMEJKCSVZFTEQJ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)cccc2)Nn1c(nnc1c1ccccc1)c1ccccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.115g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.494g/mol
Monoisotopic Mass:
426.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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