AC1LR5MU

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

Also Known As: methyl 4-[({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|Methyl 4-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-(2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-{2-[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylami no}benzoate

Molecular Formula	C23H18ClN5O3S
Molecular Weight	479.08188 g/mol
LogP	4.5001
Topological Polar Surface Area	99.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	479.08188
Monoisotopic Mass	479.08188
Heavy Atoms	33
Complexity	1261.7687

Chemical Identifiers

CAS Number	613225-89-1
SMILES	COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4