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189316-22-1 | Pyridine, 2,2'-[1,4-phenylenebis(5-ethyl-4H-1,2,4-triazole-4,3-diyl)]bis- (9CI)
CAS No: 189316-22-1 Catalog No: AG002IA0 MDL No:
Product Description
Catalog Number:
AG002IA0
Chemical Name:
Pyridine, 2,2'-[1,4-phenylenebis(5-ethyl-4H-1,2,4-triazole-4,3-diyl)]bis- (9CI)
CAS Number:
189316-22-1
Molecular Formula:
C24H22N8
Molecular Weight:
422.4851
IUPAC Name:
2-[5-ethyl-4-[4-(3-ethyl-5-pyridin-2-yl-1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-3-yl]pyridine
InChI:
InChI=1S/C24H22N8/c1-3-21-27-29-23(19-9-5-7-15-25-19)31(21)17-11-13-18(14-12-17)32-22(4-2)28-30-24(32)20-10-6-8-16-26-20/h5-16H,3-4H2,1-2H3
InChI Key:
TWBCWZDEUGVCDG-UHFFFAOYSA-N
SMILES:
CCc1nnc(n1c1ccc(cc1)n1c(CC)nnc1c1ccccn1)c1ccccn1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.197g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.496g/mol
Monoisotopic Mass:
422.197g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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