ChemSpider 2D Image | 4-[5-(4-Butoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl benzoate | C35H32N2O7

4-[5-(4-Butoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl benzoate

  • Molecular FormulaC35H32N2O7
  • Average mass592.638 Da
  • Monoisotopic mass592.220947 Da
  • ChemSpider ID3109032

More details:

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

2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 3-[4-(benzoyloxy)-3-methoxyphenyl]-5-(4-butoxyphenyl)dihydro-2-phenyl- [ACD/Index Name]
4-[5-(4-Butoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl benzoate [ACD/IUPAC Name]
4-[5-(4-Butoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-[5-(4-butoxyphényl)-4,6-dioxo-2-phénylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 811.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 444.8±37.1 °C
Index of Refraction: 1.619
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10172.91
ACD/KOC (pH 5.5): 25710.95
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10172.98
ACD/KOC (pH 7.4): 25711.12
Polar Surface Area: 95 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 462.6±3.0 cm3

Click to predict properties on the Chemicalize site


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