(6S)-1-[4-(Dimethylamino)-3-Methylbenzyl]-5-(Diphenylacetyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C31H32N4O3
IUPAC Name (6s)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
Molecular Mass 508.611 g·mol−1
Heat of Formation -124.7 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 620.52 Å 3
Surface Area 499.94 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-1-(4-dimethylamino-3-methyl-benzyl)-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-dimethylamino-3-methyl-phenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-dimethylamino-3-methyl-phenyl)methyl]-5-[2,2-di(phenyl)ethanoyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[1-oxo-2,2-di(phenyl)ethyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • pd123319
InChIKey YSTVFDAKLDMYCR-NDEPHWFRSA-N
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