1-[(3R)-1-Isobutyl-2-Oxo-5-Phenyl-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]-3-[3-(2H-Tetrazol-5-Yl)Phenyl]Urea

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Properties Simple | Detailed

Formula C23H22N8O2
IUPAC Name 1-[(3r)-1-(2-methylpropyl)-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-[3-(2h-tetrazol-5-yl)phenyl]urea
Molecular Mass 442.473 g·mol−1
Heat of Formation 331.6 ± 16.7 kJ·mol−1
Dipole Moment 13.54 ± 1.08 D
Volume 579.06 Å 3
Surface Area 484.08 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r)-1-(2-methylpropyl)-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-[3-(2h-1,2,3,4-tetrazol-5-yl)phenyl]urea
  • 1-[(3r)-1-isobutyl-2-keto-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-[3-(2h-tetrazol-5-yl)phenyl]urea
  • 1-[(3r)-1-isobutyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-3-[3-(2h-tetrazol-5-yl)phenyl]urea
InChIKey WOEBZQREQISGPC-VWLOTQADSA-N
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