Ethyl 8-Fluoro-5-(3-Fluoropropyl)-6-Oxo-5,6-Dihydro-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C17H17F2N3O3
IUPAC Name ethyl 8-fluoro-5-(3-fluoropropyl)-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 349.332 g·mol−1
Heat of Formation -663.9 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 394.48 Å 3
Surface Area 349.01 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-fp-ro-15-5528
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5-(3-fluoropropyl)5,6-dihydro-6-oxo-, ethyl ester
  • 8-fluoro-5-(3-fluoropropyl)-6-keto-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 8-fluoro-5-(3-fluoropropyl)-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • ethyl 8-fluoro-5,6-dihydro-5-(3'-fluoropropyl)-6-oxo-4h-imidazol(1,5-a)(1,4)benzodiazepine-3-carboxylate
  • n-(3'-fluoropropyl)-ro 15-5528
CAS Number(s)
  • 133368-71-5
InChIKey NWKGISOOFCWSQK-UHFFFAOYSA-N
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