2-[2-Chloro-4-(6-Oxo-1,4,5,6-Tetrahydro-3-Pyridazinyl)Phenoxy]-N-(2-{[(2S)-3-(2-Cyanophenoxy)-2-Hydroxypropyl]Amino}-2-Methylpropyl)Acetamide

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Properties Simple | Detailed

Formula C26H30ClN5O5
IUPAC Name 2-[2-chloro-4-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenoxy]-n-[2-[[(2s)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]acetamide
Molecular Mass 528.000 g·mol−1
Heat of Formation -481.6 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 627.9 Å 3
Surface Area 515.52 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-chloro-4-(6-keto-4,5-dihydro-1h-pyridazin-3-yl)phenoxy]-n-[2-[[(2s)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]acetamide
  • 2-[2-chloro-4-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenoxy]-n-[2-[[(2s)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]acetamide
  • 2-[2-chloro-4-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenoxy]-n-[2-[[(2s)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]ethanamide
  • 6-(4-(n-(2-(3-(2-cyanophenoxy)-2-hydroxypropylamino)-2-methylpropyl)carbamoylmethoxy-3-chlorophenyl))-4,5-dihydro-3(2h)-pyridazinone
  • acetamide, 2-(2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)-n-(2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)-2-methylpropyl)-, (s)-
  • gl 104313
  • gl-104313
CAS Number(s)
  • 149998-19-6
InChIKey KEADQWVQVFIVCT-IBGZPJMESA-N
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