AC1N3487

4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide

Also Known As: F0721-0279|4-tert-butyl-N-{[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide|4-(tert-butyl)-N-((5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide

Molecular Formula	C29H27F4N5O2S
Molecular Weight	585.1821 g/mol
LogP	6.3835
Topological Polar Surface Area	88.91 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	585.1821
Monoisotopic Mass	585.1821
Heavy Atoms	41
Complexity	1528.7949

Chemical Identifiers

CAS Number	393870-91-2
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)NC4=CC=C(C=C4)F