AC1N5EE3

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

Also Known As: F0514-4106|N-((5-((2-(3-(4-methoxyphenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide|N-[[5-[2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide|N-{[5-({2-[3-(4-METHOXYPHENYL)-5-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-2-PHENOXYACETAMIDE

Molecular Formula	C36H33N7O6S
Molecular Weight	691.2213 g/mol
LogP	5.65772
Topological Polar Surface Area	154.08 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	691.2213
Monoisotopic Mass	691.2213
Heavy Atoms	50
Complexity	2000.0033

Chemical Identifiers

CAS Number	393585-22-3
SMILES	CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)COC5=CC=CC=C5)C6=CC=C(C=C6)OC