AC1LM6AI

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

Also Known As: CBKinase1_007586|CBKinase1_019986|CS72|BAS 02255262|AG-690/40702105|BRD-K28207374-001-01-0|methyl 2-[({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 2-(2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 2-{2-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}b enzoate|2-{2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid methyl ester|methyl 2-{[({4-methyl-5-[4-(methyloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate

Molecular Formula	C20H20N4O4S
Molecular Weight	412.1205 g/mol
LogP	3.0081
Topological Polar Surface Area	95.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	412.1205
Monoisotopic Mass	412.1205
Heavy Atoms	29
Complexity	1017.5756

Chemical Identifiers

CAS Number	335396-47-9
SMILES	CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)OC