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141078-92-4 | 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
CAS No: 141078-92-4 Catalog No: AG001FUH MDL No:
Product Description
Catalog Number:
AG001FUH
Chemical Name:
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
CAS Number:
141078-92-4
Molecular Formula:
C23H21N3O2
Molecular Weight:
371.4317
IUPAC Name:
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
InChI:
InChI=1S/C23H21N3O2/c1-17-8-12-19(13-9-17)26-22(16-28-21-6-4-3-5-7-21)24-25-23(26)18-10-14-20(27-2)15-11-18/h3-15H,16H2,1-2H3
InChI Key:
JCVSVGTUUAEUQS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)COc1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.44g/mol
Monoisotopic Mass:
371.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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