AC1LKQ2B

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

Also Known As: BAS 02138703|AG-690/40752382|Methyl 2-(2-((5-(((4-chlorophenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 2-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|2-(2-{5-[(4-Chloro-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetylamino)-benzoic acid methyl ester|methyl 2-[2-(5-{[(4-chlorophenyl)amino]methyl}-4-methyl-1,2,4-triazol-3-ylthio )acetylamino]benzoate|methyl 2-{[({5-[(4-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate|Methyl2-(2-((5-(((4-chlorophenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate

Molecular Formula	C20H20ClN5O3S
Molecular Weight	445.09753 g/mol
LogP	3.598
Topological Polar Surface Area	98.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	445.09753
Monoisotopic Mass	445.09753
Heavy Atoms	30
Complexity	1039.1761

Chemical Identifiers

CAS Number	333314-29-7
SMILES	CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CNC3=CC=C(C=C3)Cl