ChemSpider 2D Image | (5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE | C24H24IN3O2

(5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID26329522
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE
(5S)-6-(4-{[2-(3-Iodbenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
(5S)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone [ACD/IUPAC Name]
(5S)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexén-1-yl]amino}phényl)-5-méthyl-4,5-dihydro-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 4,5-dihydro-6-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-1-cyclohexen-1-yl]amino]phenyl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-6-[4-({2-[(3-iodophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
(5S)-6-[4-({2-[(3-iodophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-4,5-dihydro-2H-pyridazin-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 828.89
ACD/KOC (pH 5.5): 4271.88
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 829.18
ACD/KOC (pH 7.4): 4273.36
Polar Surface Area: 71 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 330.1±7.0 cm3

Click to predict properties on the Chemicalize site






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