4-[1,4-Di(4-Morpholinyl)Pyrido[3,4-D]Pyridazin-7(6H)-Ylidene]-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C21H31N5O3
IUPAC Name 4-(1,4-dimorpholino-6,8-dihydro-5h-pyrido[3,4-d]pyridazine-1,2,3,4,4a,5,8,8a-octaid-7-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 401.503 g·mol−1
Heat of Formation 63.0 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 451.74 Å 3
Surface Area 389.6 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dimorpholino-7-(4-hydroxyphenyl)pyrido(3,4-d)pyridazine
  • 4-(1,4-dimorpholino-6h-pyrido[5,4-d]pyridazin-7-ylidene)-1-cyclohexa-2,5-dienone
  • 4-(1,4-dimorpholino-6h-pyrido[5,4-d]pyridazin-7-ylidene)cyclohexa-2,5-dien-1-one
  • 4-[1,4-di(morpholin-4-yl)-6h-pyrido[5,4-d]pyridazin-7-ylidene]cyclohexa-2,5-dien-1-one
  • ds 511 (4'-oh)
  • ds-511 (4'-oh)
  • ds-511(4'-oh)
  • phenol, 4-(1,4-di-4-morpholinylpyrido(3,4-d)pyridazin-7-yl)-
CAS Number(s)
  • 57696-55-6
InChIKey SBVVOJRQTPCGRQ-UHFFFAOYSA-N
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