4-{[(3S)-7-Bromo-5-(2-Chlorophenyl)-2-Oxo-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C19H14BrClN2O5
IUPAC Name 4-[[(3s)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 465.682 g·mol−1
Heat of Formation -642.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 451.83 Å 3
Surface Area 389.3 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3s)-7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-keto-butyric acid
  • 4-[[(3s)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(3s)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
InChIKey NQTRBZXDWMDXAQ-IBGZPJMESA-N
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Elements C Cl H O N Br