(5S)-5-Methyl-1-(4-Quinolinylmethyl)-3-{4-[(Trifluoromethyl)Sulfonyl]Phenyl}-2,4-Imidazolidinedione

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Properties Simple | Detailed

Formula C21H16F3N3O4S
IUPAC Name (5s)-5-methyl-1-(4-quinolylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
Molecular Mass 463.430 g·mol−1
Heat of Formation -968.0 ± 16.7 kJ·mol−1
Dipole Moment 9.98 ± 1.08 D
Volume 479.43 Å 3
Surface Area 405.51 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-methyl-1-(4-quinolylmethyl)-3-(4-triflylphenyl)hydantoin
  • (5s)-5-methyl-1-(4-quinolylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
  • (5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
InChIKey GKQIKYWYJQQLLD-ZDUSSCGKSA-N
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