AC1MS5NP

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

Also Known As: F0721-0255|4-tert-butyl-N-{[4-(4-fluorophenyl)-5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide|4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide|4-(tert-butyl)-N-((4-(4-fluorophenyl)-5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-tert-butyl-N-{[4-(4-fluorophenyl)-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

Molecular Formula	C28H27F2N5O2S
Molecular Weight	535.18536 g/mol
LogP	5.5038
Topological Polar Surface Area	88.91 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	535.18536
Monoisotopic Mass	535.18536
Heavy Atoms	38
Complexity	1413.882

Chemical Identifiers

CAS Number	393870-67-2
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)F