AC1MPP0D

4-(dimethylsulfamoyl)-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide

Also Known As: Oprea1_183167|F0721-0712|4-(dimethylsulfamoyl)-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide|4-(dimethylsulfamoyl)-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide|4-(N,N-dimethylsulfamoyl)-N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-(dimethylsulfamoyl)-N-{[5-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

Molecular Formula	C27H28N6O4S2
Molecular Weight	564.1613 g/mol
LogP	3.48682
Topological Polar Surface Area	126.29 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	564.1613
Monoisotopic Mass	564.1613
Heavy Atoms	39
Complexity	1569.5824

Chemical Identifiers

CAS Number	393875-14-4
SMILES	CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C