AC1MMIVU

N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide

Also Known As: F0514-0713|N-((5-((2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide|N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide|N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide|N-[(5-{2-[3-(p-bromophenyl)-5-(p-fluorophenyl)-2-pyrazolin-1-yl]-2-oxoethylthio}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]p-nitrobenzamide

Molecular Formula	C28H23BrFN7O4S
Molecular Weight	651.06995 g/mol
LogP	5.0249
Topological Polar Surface Area	135.62 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	651.06995
Monoisotopic Mass	651.06995
Heavy Atoms	42
Complexity	1661.277

Chemical Identifiers

CAS Number	393583-16-9
SMILES	CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]