AC1LUS5E

4-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

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

Molecular Formula	C27H27N3O3S
Molecular Weight	473.1773 g/mol
LogP	6.2309
Topological Polar Surface Area	77.24 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	473.1773
Monoisotopic Mass	473.1773
Heavy Atoms	34
Complexity	1272.9524

Chemical Identifiers

CAS Number	499103-41-2
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)C(=O)O