AC1Q43EM

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

Also Known As: methyl 4-(2-((5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-[[2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-{2-[5-(4-chlorophenyl)-4-(4-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	1323.3463

Chemical Identifiers

CAS Number	861111-92-4
SMILES	COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl