3-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Propyl 8-Fluoro-5-Methyl-6-Oxo-5,6-Dihydro-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C22H18FN7O6
IUPAC Name 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl 8-fluoro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 495.420 g·mol−1
Heat of Formation -176.0 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 522.28 Å 3
Surface Area 373.87 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, 3-((7-nitro-4-benzofurazanyl)amino)propyl ester
  • 8-fluoro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl ester
  • 8-fluoro-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-[(7-nitrobenzofurazan-4-yl)amino]propyl ester
  • bd 623
  • bd-623
CAS Number(s)
  • 132305-66-9
InChIKey CCEREZNYZJQYEM-UHFFFAOYSA-N
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