AC1MNQYA

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

Also Known As: ChemDiv1_012472|Oprea1_679033|HMS622G20|SR-01000543014-1|F0514-4850|N-((4-benzyl-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)furan-2-carboxamide|N-{[4-benzyl-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}furan-2-carboxamide|N-[[4-benzyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Molecular Formula	C31H28N6O3S2
Molecular Weight	596.16644 g/mol
LogP	5.68932
Topological Polar Surface Area	105.62 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	596.16644
Monoisotopic Mass	596.16644
Heavy Atoms	42
Complexity	1680.3661

Chemical Identifiers

CAS Number	393783-07-8
SMILES	CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CO5)C6=CC=CS6