AC1N3XC1

N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide

Also Known As: F0772-0506|N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-(dimethylsulfamoyl)benzamide|N-((5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide|N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide

Molecular Formula	C29H28ClF3N6O6S2
Molecular Weight	712.11523 g/mol
LogP	4.8678
Topological Polar Surface Area	144.75 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	712.11523
Monoisotopic Mass	712.11523
Heavy Atoms	47
Complexity	1886.1963

Chemical Identifiers

CAS Number	394230-06-9
SMILES	CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl