ChemSpider 2D Image | 6-(3,5-Dimethylbenzyl)-5-ethyl-1-{[(4-iodobenzyl)oxy]methyl}-2,4(1H,3H)-pyrimidinedione | C23H25IN2O3

6-(3,5-Dimethylbenzyl)-5-ethyl-1-{[(4-iodobenzyl)oxy]methyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC23H25IN2O3
  • Average mass504.361 Da
  • Monoisotopic mass504.090973 Da
  • ChemSpider ID23312531

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(4-iodophenyl)methoxy]methyl]- [ACD/Index Name]
6-(3,5-Dimethylbenzyl)-5-ethyl-1-{[(4-iodbenzyl)oxy]methyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-(3,5-Dimethylbenzyl)-5-ethyl-1-{[(4-iodobenzyl)oxy]methyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-(3,5-Diméthylbenzyl)-5-éthyl-1-{[(4-iodobenzyl)oxy]méthyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
6-(3,5-dimethylbenzyl)-5-ethyl-1-{[(4-iodobenzyl)oxy]methyl}pyrimidine-2,4(1H,3H)-dione
6-(3,5-dimethylbenzyl)-5-ethyl-1-(4-iodobenzyl-oxymethyl)-1H-pyrimidine- 2,4-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL266924/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10364.09
ACD/KOC (pH 5.5): 26054.98
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10262.84
ACD/KOC (pH 7.4): 25800.45
Polar Surface Area: 59 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 351.0±3.0 cm3

Click to predict properties on the Chemicalize site


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