PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


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

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

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID20118954

More details:






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

3(2H)-Pyridazinone, 4,5-dihydro-6-[4-[[2-[(3-iodophenyl)methyl]-3-oxo-1-cyclohexen-1-yl]amino]phenyl]-5-methyl- [ACD/Index Name]
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]
6-(4-{[2-(3-Iodobenzyl)-3-oxo-1-cyclohexen-1-yl]amino}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone [ACD/IUPAC Name]
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]
6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
6-{4-[2-(3-Iodo-benzyl)-3-oxo-cyclohex-1-enylamino]-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






Advertisement