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141079-00-7 | 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS No: 141079-00-7 Catalog No: AG001FUC MDL No:
Product Description
Catalog Number:
AG001FUC
Chemical Name:
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-
CAS Number:
141079-00-7
Molecular Formula:
C24H23N3O2
Molecular Weight:
385.4583
IUPAC Name:
3-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
InChI:
InChI=1S/C24H23N3O2/c1-17-4-10-20(11-5-17)27-23(16-29-22-12-6-18(2)7-13-22)25-26-24(27)19-8-14-21(28-3)15-9-19/h4-15H,16H2,1-3H3
InChI Key:
DYLXPNPSPONDCG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.179g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.467g/mol
Monoisotopic Mass:
385.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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