AC1M1BJ6

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

Also Known As: Methyl 4-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-(2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-{2-[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-ylthio]acetylamino}be nzoate|methyl 4-(2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Molecular Formula	C24H19ClN4O3S
Molecular Weight	478.08664 g/mol
LogP	5.1051
Topological Polar Surface Area	86.11 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	478.08664
Monoisotopic Mass	478.08664
Heavy Atoms	33
Complexity	1259.3812

Chemical Identifiers

CAS Number	849005-98-7
SMILES	COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4