(3E)-3-({4-[(1Z)-3-{4-[(2-Methyl-1H-Imidazo[4,5-C]Pyridin-1-Yl)Methyl]-1-Piperidinyl}-3-Oxo-1-Phenyl-1-Propen-1-Yl]Phenyl}Hydrazono)-6-Oxo-1,4-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C35H32N6O4
IUPAC Name (3e)-3-[[4-[(z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
Molecular Mass 600.666 g·mol−1
Heat of Formation 38.9 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 713.81 Å 3
Surface Area 592.32 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-[[4-[(z)-3-[4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]-1-piperidinyl]-3-oxo-1-phenylprop-1-enyl]phenyl]hydrazono]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
  • (3e)-3-[[4-[(z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]-3-oxo-1-phenyl-prop-1-enyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-3-[[4-[(z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenyl-prop-1-enyl]phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
  • (3e)-6-keto-3-[[4-[(z)-3-keto-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]-1-phenyl-prop-1-enyl]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid
InChIKey PYDDRGVUBLLKNK-CMPAXRDWSA-N
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