N-[3-({(3R,4R)-6-[(7-Chloro-2-Quinolinyl)Methoxy]-4-Hydroxy-3,4-Dihydro-2H-Chromen-3-Yl}Methyl)-4-Methoxyphenyl]-1,1,1-Trifluoromethanesulfonamide

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Properties Simple | Detailed

Formula C20H16ClF3N2O6S
IUPAC Name n-[3-[3-[4-(cyanomethoxy)-6-(oxomethylene)cyclohexa-2,4-dien-1-yl]oxyprop-1-ynyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide chloride
Molecular Mass 504.864 g·mol−1
Heat of Formation -1267.5 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 648.48 Å 3
Surface Area 540.26 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[[(3r,4r)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-3-chromanyl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
  • n-[3-[[(3r,4r)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide
  • n-[3-[[(3r,4r)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide
  • n-[3-[[(3r,4r)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxychroman-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
InChIKey MPAVKANPTWXZRO-DNOBIOAJSA-N
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