(6S)-1-(4-Amino-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 C29H23N4O3+
IUPAC Name (6s)-1-[(4-amino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
Molecular Mass 475.518 g·mol−1
Heat of Formation 3886.7 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 533.71 Å 3
Surface Area 438.69 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-1-(4-amino-3-methyl-benzyl)-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-amino-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-amino-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-amino-3-methylphenyl)methyl]-5-[1-oxo-2,2-di(phenyl)ethyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • pd123177
InChIKey KLVDUSUYBDMJKR-SANMLTNESA-N
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