ChemSpider 2D Image | 5-(4-Butoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione | C30H32N2O7

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

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID2988657

More details:

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

2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-(4-butoxyphenyl)dihydro-2-phenyl-3-(2,3,4-trimethoxyphenyl)- [ACD/Index Name]
5-(4-Butoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazol-4,6(3H,5H)-dion [German] [ACD/IUPAC Name]
5-(4-Butoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [ACD/IUPAC Name]
5-(4-Butoxyphényl)-2-phényl-3-(2,3,4-triméthoxyphényl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [French] [ACD/IUPAC Name]
1022376-12-0 [RN]
5-(4-butoxyphenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.589
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.79
ACD/KOC (pH 5.5): 2480.40
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.79
ACD/KOC (pH 7.4): 2480.41
Polar Surface Area: 87 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement