AC1OBS29 structure

AC1OBS29

[2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate

Also Known As: (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate|[2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate|2-methoxy-4-{(E)-[2-({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate

CAS: 406465-92-7
Molecular Formula C28H27N5O5S
Molecular Weight 545.1733 g/mol
LogP 4.42762
Topological Polar Surface Area 116.93 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 10
Exact Mass 545.1733
Monoisotopic Mass 545.1733
Heavy Atoms 39
Complexity 1483.477

Chemical Identifiers

CAS Number 406465-92-7
SMILES CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C4=CC(=C(C=C4)OC(=O)C)OC

Product Overview

AC1OBS29 (CAS 406465-92-7), with molecular formula C28H27N5O5S and molecular weight 545.1733 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate.

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