AC1ND8MF

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

Also Known As: SR-01000542601-1|F0514-0639|N-{[4-(2-methoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide|N-((4-(2-methoxyphenyl)-5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide|N-[[4-(2-methoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide

Molecular Formula	C33H29N7O5S2
Molecular Weight	667.1672 g/mol
LogP	5.95402
Topological Polar Surface Area	144.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	11
Exact Mass	667.1672
Monoisotopic Mass	667.1672
Heavy Atoms	47
Complexity	1940.8816

Chemical Identifiers

CAS Number	393582-97-3
SMILES	CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6