ChemSpider 2D Image | 5-(4-Ethoxyphenyl)-3-[4-(heptyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione | C32H36N2O5

5-(4-Ethoxyphenyl)-3-[4-(heptyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID3057901

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-ethoxyphenyl)-3-[4-(heptyloxy)phenyl]dihydro-2-phenyl- [ACD/Index Name]
5-(4-Ethoxyphenyl)-3-[4-(heptyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazol-4,6(3H,5H)-dion [German] [ACD/IUPAC Name]
5-(4-Ethoxyphenyl)-3-[4-(heptyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [ACD/IUPAC Name]
5-(4-Éthoxyphényl)-3-[4-(heptyloxy)phényl]-2-phényldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione [French] [ACD/IUPAC Name]
1022633-37-9 [RN]
5-(4-ethoxyphenyl)-3-(4-heptoxyphenyl)-2-phenyl-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: 714.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±35.7 °C
Index of Refraction: 1.585
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55374.28
ACD/KOC (pH 5.5): 86464.95
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55375.01
ACD/KOC (pH 7.4): 86466.08
Polar Surface Area: 68 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 445.2±3.0 cm3

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