ChemSpider 2D Image | 3-{[4-(Hexyloxy)phenyl]amino}-4-[(4-methylphenyl)sulfanyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrole-2,5-dione | C33H38N2O3S

3-{[4-(Hexyloxy)phenyl]amino}-4-[(4-methylphenyl)sulfanyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID60071592

More details:

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

1H-Pyrrole-2,5-dione, 1-[4-(1,1-dimethylethyl)phenyl]-3-[[4-(hexyloxy)phenyl]amino]-4-[(4-methylphenyl)thio]- [ACD/Index Name]
3-{[4-(Hexyloxy)phenyl]amino}-4-[(4-methylphenyl)sulfanyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-{[4-(Hexyloxy)phenyl]amino}-4-[(4-methylphenyl)sulfanyl]-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-{[4-(Hexyloxy)phényl]amino}-4-[(4-méthylphényl)sulfanyl]-1-[4-(2-méthyl-2-propanyl)phényl]-1H-pyrrole-2,5-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: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 350461.69
ACD/KOC (pH 5.5): 323911.97
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 350461.69
ACD/KOC (pH 7.4): 323911.97
Polar Surface Area: 84 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 453.5±5.0 cm3

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