N-{[4'-({3-Butyl-5-Oxo-1-[2-(Trifluoromethyl)Phenyl]-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl}Methyl)-2-Biphenylyl]Sulfonyl}-3-Methyl-2-Thiophenecarboxamide
[CAS# 147776-06-5]

Identification

• Name: N-{[4'-({3-Butyl-5-Oxo-1-[2-(Trifluoromethyl)Phenyl]-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl}Methyl)-2-Biphenylyl]Sulfonyl}-3-Methyl-2-Thiophenecarboxamide
• Synonyms: "L-161,982"; "N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-3-methyl-2-thiophenecarboxamide"; [147776-06-5]
• Molecular Formula: C₃₂H₂₉F₃N₄O₄S₂
• Molecular Weight: 654.72
• CAS Registry Number: 147776-06-5
• SMILES: CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CS4)C)C5=CC=CC=C5C(F)(F)F
• InChI: 1S/C32H29F3N4O4S2/c1-3-4-13-28-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(28)20-22-14-16-23(17-15-22)24-9-5-8-12-27(24)45(42,43)37-30(40)29-21(2)18-19-44-29/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)
• InChIKey: MMDNKTXNUZFVKD-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.633 (Cal.)
• solubility: Soluble to 100 mM in DMSO