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Home > Pyridines > 141079-05-2
141079-05-2 | Pyridine, 4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-
CAS No: 141079-05-2 Catalog No: AG001FU8 MDL No:
Product Description
Catalog Number:
AG001FU8
Chemical Name:
Pyridine, 4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-
CAS Number:
141079-05-2
Molecular Formula:
C22H20N4O
Molecular Weight:
356.4204
IUPAC Name:
4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
InChI:
InChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)26-21(15-27-20-9-5-17(2)6-10-20)24-25-22(26)18-11-13-23-14-12-18/h3-14H,15H2,1-2H3
InChI Key:
XJSCRALNUGHQKA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCc1nnc(n1c1ccc(cc1)C)c1ccncc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.164g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.429g/mol
Monoisotopic Mass:
356.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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