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

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Properties Simple | Detailed

Formula C30H28ClF3N2O6S
IUPAC Name n-[3-[[(3s,4r)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-2,2-dimethyl-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide
Molecular Mass 637.066 g·mol−1
Heat of Formation -1347.9 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 684.83 Å 3
Surface Area 544.51 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[[(3s,4r)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-2,2-dimethyl-3-chromanyl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
  • n-[3-[[(3s,4r)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-2,2-dimethyl-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide
  • n-[3-[[(3s,4r)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-2,2-dimethyl-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide
  • n-[3-[[(3s,4r)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-2,2-dimethylchroman-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
InChIKey JKFSIVODIHADRI-CUBQBAPOSA-N
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