AC1N7XA1

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

Also Known As: F0508-0632|N-{[4-(4-bromophenyl)-5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide|N-((4-(4-bromophenyl)-5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3,4-dimethoxybenzamide|N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide|N-{[4-(p-bromophenyl)-5-{[N-2-chloro-5-(trifluoromethyl)phenylcarbamoyl]methylthio}-4H-1,2,4-triazol-3-yl]methyl}veratramide

Molecular Formula	C27H22BrClF3N5O4S
Molecular Weight	683.02167 g/mol
LogP	6.38
Topological Polar Surface Area	107.37 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	683.02167
Monoisotopic Mass	683.02167
Heavy Atoms	42
Complexity	1601.8778

Chemical Identifiers

CAS Number	391944-85-7
SMILES	COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)OC