ChemSpider 2D Image | 5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione | C33H36N4O6

5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID17461644

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-5-[[(1R,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]- [ACD/Index Name]
5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-(2,4-Diméthoxybenzyl)-1-(4-éthylphényl)-5-{[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]méthyl}-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-5-{[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
956818-33-0 [RN]

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: 1.667
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 22.64
ACD/KOC (pH 5.5): 179.85
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 84.76
ACD/KOC (pH 7.4): 673.35
Polar Surface Area: 108 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 428.1±5.0 cm3

Click to predict properties on the Chemicalize site


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