(R)-Ethyl 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2-tritylisoindolin-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

• Catalog: OFC194804450
• CAS: 194804-45-0
• Category: Fluorinated Quinolines
• Synonyms: 1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2-tritylisoindoline-5-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
• Purity: 97%

• IUPAC Name: ethyl 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2-trityl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C44H38F2N2O4/c1-3-51-42(50)38-27-47(34-20-21-34)39-37(40(38)49)24-23-36(41(39)52-43(45)46)29-19-22-35-28(2)48(26-30(35)25-29)44(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-19,22-25,27-28,34,43H,3,20-21,26H2,1-2H3/t28-/m1/s1
• InChI Key: DDEXFWPIKLVUNL-MUUNZHRXSA-N
• Isomeric SMILES: CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)C3=CC4=C(C=C3)[C@H](N(C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C)C8CC8
• EC Number: 606-319-7

• Molecular Formula: C44H38F2N2O4
• Molecular Weight: 696.78

• XLogP3-AA: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 696.27996402 g/mol
• Monoisotopic Mass: 696.27996402 g/mol
• Topological Polar Surface Area: 59.1Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1240