ChemSpider 2D Image | 2-{1-(4-Methylphenyl)-2-[4-(octyloxy)phenyl]-4-oxo-3-azetidinyl}-1H-isoindole-1,3(2H)-dione | C32H34N2O4

2-{1-(4-Methylphenyl)-2-[4-(octyloxy)phenyl]-4-oxo-3-azetidinyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID5049964

More details:






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

1H-Isoindole-1,3(2H)-dione, 2-[1-(4-methylphenyl)-2-[4-(octyloxy)phenyl]-4-oxo-3-azetidinyl]- [ACD/Index Name]
2-{1-(4-Methylphenyl)-2-[4-(octyloxy)phenyl]-4-oxo-3-azetidinyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{1-(4-Methylphenyl)-2-[4-(octyloxy)phenyl]-4-oxo-3-azetidinyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{1-(4-Méthylphényl)-2-[4-(octyloxy)phényl]-4-oxo-3-azétidinyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[1-(4-METHYLPHENYL)-2-(4-OCTOXYPHENYL)-4-OXOAZETIDIN-3-YL]ISOINDOLE-1,3-DIONE

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

ChemDiv1_021196 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 986904.44
ACD/KOC (pH 5.5): 679627.00
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 986904.44
ACD/KOC (pH 7.4): 679627.00
Polar Surface Area: 67 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 419.0±3.0 cm3

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