(3R)-3-Amino-1-(2-Benzoyl-1,2-Diazepan-1-Yl)-4-(2,4,5-Trifluorophenyl)-1-Butanone

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Properties Simple | Detailed

Formula C22H24F3N3O2
IUPAC Name (3r)-3-amino-1-(2-benzoyldiazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
Molecular Mass 419.440 g·mol−1
Heat of Formation -720.4 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 484.74 Å 3
Surface Area 366.93 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-amino-1-(2-phenylcarbonyl-1,2-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
  • (3r)-3-amino-1-[2-(benzoyl)diazepan-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  • (3r)-3-amino-1-[2-(oxo-phenylmethyl)-1-diazepanyl]-4-(2,4,5-trifluorophenyl)butan-1-one
InChIKey XXRHRPGYYNOBHO-QGZVFWFLSA-N
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