(5R)-6-(4-{[2-(3-Iodobenzyl)-3-Oxo-1-Cyclohexen-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydro-3(2H)-Pyridazinone

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Properties Simple | Detailed

Formula C24H24IN3O2
IUPAC Name (4r)-3-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-cyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1h-pyridazin-6-one
Molecular Mass 513.371 g·mol−1
Heat of Formation -17.4 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 512.62 Å 3
Surface Area 384.36 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one
  • (5r)-6-[4-[[2-(3-iodobenzyl)-3-keto-1-cyclohexenyl]amino]phenyl]-5-methyl-4,5-dihydro-2h-pyridazin-3-one
  • (5r)-6-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-1-cyclohexenyl]amino]phenyl]-5-methyl-4,5-dihydro-2h-pyridazin-3-one
  • 6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one
InChIKey QNURTFDBHAQRSI-OAHLLOKOSA-N
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