AC1LK876

methyl 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: methyl {[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl {[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetate|methyl 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio} acetate|methyl 2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Molecular Formula	C22H25N3O3S
Molecular Weight	411.16165 g/mol
LogP	4.5055
Topological Polar Surface Area	66.24 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	411.16165
Monoisotopic Mass	411.16165
Heavy Atoms	29
Complexity	974.0322

Chemical Identifiers

CAS Number	613227-72-8
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)OC