ChemSpider 2D Image | 3-(4-Ethoxyphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylurea | C33H36N4O4

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

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID4242745

More details:

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

3-(4-Ethoxyphenyl)-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-(4-Ethoxyphenyl)-1-{2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]ethyl}-1-propylurea [ACD/IUPAC Name]
3-(4-Éthoxyphényl)-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'-(4-ethoxyphenyl)-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: 769.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 418.9±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18485.49
ACD/KOC (pH 5.5): 39425.53
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18486.30
ACD/KOC (pH 7.4): 39427.26
Polar Surface Area: 76 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 463.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement