AC1N61XD

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

Also Known As: F0514-1084|N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide|N-((5-((2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide|N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide

Molecular Formula	C35H30FN7O6S
Molecular Weight	695.1962 g/mol
LogP	5.7318
Topological Polar Surface Area	154.08 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	695.1962
Monoisotopic Mass	695.1962
Heavy Atoms	50
Complexity	2036.4152

Chemical Identifiers

CAS Number	393583-91-0
SMILES	COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)[N+](=O)[O-])CNC(=O)C6=CC=C(C=C6)OC