Ethyl 1-methyl-5-(4-(trifluoromethyl)-[1,1'-biphenyl]-2-ylcarboxamido)-1H-indole-2-carboxylate

• Catalog: OFC481659932
• CAS: 481659-93-2
• Category: Fluorinated Indoles
• Synonyms: ethyl 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate
• Purity: 97%

• IUPAC Name: ethyl 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate
• InChI: InChI=1S/C26H21F3N2O3/c1-3-34-25(33)23-15-17-14-19(12-13-22(17)31(23)2)30-24(32)21-7-5-4-6-20(21)16-8-10-18(11-9-16)26(27,28)29/h4-15H,3H2,1-2H3,(H,30,32)
• InChI Key: LPGIJOKHQGNRDJ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

• Molecular Formula: C26H21F3N2O3
• Molecular Weight: 466.45

• XLogP3-AA: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 466.15042702 g/mol
• Monoisotopic Mass: 466.15042702 g/mol
• Topological Polar Surface Area: 60.3Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 723