ChemSpider 2D Image | (5R)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-5,6-dihydro-3(4H)-pyridazinone | C24H24IN3O2

(5R)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-5,6-dihydro-3(4H)-pyridazinone

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID10160260
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(5R)-6-(4-{[2-(3-Iodbenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-5,6-dihydro-3(4H)-pyridazinon [German] [ACD/IUPAC Name]
(5R)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-5,6-dihydro-3(4H)-pyridazinone [ACD/IUPAC Name]
(5R)-6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexén-1-yl]amino}phényl)-5-méthyl-5,6-dihydro-3(4H)-pyridazinone [French] [ACD/IUPAC Name]
3(4H)-Pyridazinone, 5,6-dihydro-6-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-1-cyclohexen-1-yl]amino]phenyl]-5-methyl-, (5R)- [ACD/Index Name]
6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
666

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

Density: 1.6±0.1 g/cm3
Boiling Point: 621.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1826.70
ACD/KOC (pH 5.5): 7521.40
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1826.70
ACD/KOC (pH 7.4): 7521.41
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

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