ChemSpider 2D Image | 3-(2,6-Diisopropylphenyl)-1-{2-[1-(4-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-1-propylurea | C32H42N4O2

3-(2,6-Diisopropylphenyl)-1-{2-[1-(4-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-1-propylurea

  • Molecular FormulaC32H42N4O2
  • Average mass514.701 Da
  • Monoisotopic mass514.330750 Da
  • ChemSpider ID4173660

More details:

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

3-(2,6-Diisopropylphenyl)-1-{2-[1-(4-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-1-propylharnstoff [German] [ACD/IUPAC Name]
3-(2,6-Diisopropylphenyl)-1-{2-[1-(4-methylphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-1-propylurea [ACD/IUPAC Name]
3-(2,6-Diisopropylphényl)-1-{2-[1-(4-méthylphényl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoéthyl}-1-propylurée [French] [ACD/IUPAC Name]
Urea, N'-[2,6-bis(1-methylethyl)phenyl]-N-[2-[3,4-dihydro-1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl]-N-propyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68366.55
ACD/KOC (pH 5.5): 100542.32
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 68373.30
ACD/KOC (pH 7.4): 100552.26
Polar Surface Area: 58 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 459.4±7.0 cm3

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