AC1N33GQ

N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide

Also Known As: F0507-4986|N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide|N-{[4-(4-fluorophenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide|N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide

Molecular Formula	C28H25FN6O4S
Molecular Weight	560.1642 g/mol
LogP	4.62452
Topological Polar Surface Area	123.26 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	560.1642
Monoisotopic Mass	560.1642
Heavy Atoms	40
Complexity	1590.1731

Chemical Identifiers

CAS Number	391941-65-4
SMILES	CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)N4CCCC5=CC=CC=C54)[N+](=O)[O-]