Tcmdc-131928

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Properties Simple | Detailed

Formula C27H24N4O6
IUPAC Name (2s)-2-[5-[(3-methyl-1-oxo-4h-benzo[f]quinazolin-9-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid
Molecular Mass 500.503 g·mol−1
Heat of Formation -795.4 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 561.63 Å 3
Surface Area 493.24 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[1-keto-5-[(1-keto-3-methyl-4h-benzo[f]quinazolin-9-yl)methylamino]isoindolin-2-yl]glutaric acid
  • (2s)-2-[5-[(3-methyl-1-oxo-4h-benzo[f]quinazolin-9-yl)methylamino]-1-oxo-2-isoindolinyl]pentanedioic acid
  • (2s)-2-[5-[(3-methyl-1-oxo-4h-benzo[f]quinazolin-9-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid
  • (2s)-2-[6-[(3-methyl-1-oxo-4h-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1h-isoindol-2-yl]pentanedioic acid
  • (s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
  • 1843u
  • 1843u89
  • 1943u89
  • 2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)-1-oxo-2-isoindolinyl)glutaric acid
  • bw 1843u89
  • f89
  • gw1843
  • pentanedioic acid, 2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)-1,3-dihydro-1-oxo-2h-isoindol-2-yl)-, (s)-
  • s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
  • u18
CAS Number(s)
  • 139987-54-5
InChIKey BRVFNEZMTRVUGW-QFIPXVFZSA-N
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