ChemSpider 2D Image | 3-(2,6-Dimethylphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylurea | C33H36N4O3

3-(2,6-Dimethylphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylurea

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID3440086

More details:

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

3-(2,6-Dimethylphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylharnstoff [German] [ACD/IUPAC Name]
3-(2,6-Dimethylphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylurea [ACD/IUPAC Name]
3-(2,6-Diméthylphényl)-1-{2-oxo-2-[1-(3-phénoxyphényl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]éthyl}-1-propylurée [French] [ACD/IUPAC Name]
Urea, N-[2-[3,4-dihydro-1-(3-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl]-N'-(2,6-dimethylphenyl)-N-propyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 159.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16843.61
ACD/KOC (pH 5.5): 36885.11
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16846.05
ACD/KOC (pH 7.4): 36890.46
Polar Surface Area: 67 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 455.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement