ChemSpider 2D Image | 3-[4-(Octyloxy)phenyl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione | C34H40N2O5

3-[4-(Octyloxy)phenyl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID4102850

More details:

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

2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, dihydro-3-[4-(octyloxy)phenyl]-2-phenyl-5-(4-propoxyphenyl)- [ACD/Index Name]
3-[4-(Octyloxy)phenyl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazol-4,6(3H,5H)-dion [German] [ACD/IUPAC Name]
3-[4-(Octyloxy)phenyl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [ACD/IUPAC Name]
3-[4-(Octyloxy)phényl]-2-phényl-5-(4-propoxyphényl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [French] [ACD/IUPAC 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: 729.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±35.7 °C
Index of Refraction: 1.577
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 186658.42
ACD/KOC (pH 5.5): 206343.34
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186660.88
ACD/KOC (pH 7.4): 206346.06
Polar Surface Area: 68 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 478.2±3.0 cm3

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