AC1M16WF

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

Also Known As: methyl 4-(2-((4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-[[2-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-{2-[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-ylthio]ace tylamino}benzoate

Molecular Formula	C25H21ClN4O4S
Molecular Weight	508.0972 g/mol
LogP	5.1137
Topological Polar Surface Area	95.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	508.0972
Monoisotopic Mass	508.0972
Heavy Atoms	35
Complexity	1340.5963

Chemical Identifiers

CAS Number	848994-41-2
SMILES	COC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)OC