AC1M16FV

methyl 4-[[2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: methyl 4-(2-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-[[2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-{2-[4-(4-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-ylthio]acet ylamino}benzoate

Molecular Formula	C26H24N4O3S
Molecular Weight	472.15692 g/mol
LogP	5.06854
Topological Polar Surface Area	86.11 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	472.15692
Monoisotopic Mass	472.15692
Heavy Atoms	34
Complexity	1314.8925

Chemical Identifiers

CAS Number	848992-89-2
SMILES	CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC(=C4)C