2-[2,4-Bis(Trifluoromethyl)Phenyl]-N-[(3R)-2-Oxo-5-Phenyl-1-(2,2,2-Trifluoroethyl)-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]Acetamide

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Formula C27H18F9N3O2
IUPAC Name 2-[2,4-bis(trifluoromethyl)phenyl]-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-3-yl]acetamide
Molecular Mass 587.436 g·mol−1
Heat of Formation -1967.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 602.83 Å 3
Surface Area 416.26 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2,4-bis(trifluoromethyl)phenyl]-n-[(3r)-2-keto-5-phenyl-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-3-yl]acetamide
  • 2-[2,4-bis(trifluoromethyl)phenyl]-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-3-yl]ethanamide
InChIKey VVCYJFVTVHMTBV-HSZRJFAPSA-N
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