AC1N59O0

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

Also Known As: SR-01000542602-1|F0514-0642|N-((5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide|N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide|N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide

Molecular Formula	C32H26FN7O5S2
Molecular Weight	671.1421 g/mol
LogP	5.7847
Topological Polar Surface Area	144.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	11
Exact Mass	671.1421
Monoisotopic Mass	671.1421
Heavy Atoms	47
Complexity	1947.3466

Chemical Identifiers

CAS Number	393582-99-5
SMILES	COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=C(C=C6)[N+](=O)[O-]