ChemSpider 2D Image | 3-(2,3-Dichlorophenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-(3-octanyl)-1H-pyrrole-2,5-dione | C29H36Cl2N4O2

3-(2,3-Dichlorophenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-(3-octanyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID127296050

More details:

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

1H-Pyrrole-2,5-dione, 3-(2,3-dichlorophenyl)-1-(1-ethylhexyl)-4-[[4-(4-methyl-1-piperazinyl)phenyl]amino]- [ACD/Index Name]
3-(2,3-Dichlorophenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-(3-octanyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(2,3-Dichlorophényl)-4-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-1-(3-octanyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(2,3-Dichlorphenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-(3-octanyl)-1H-pyrrol-2,5-dion [German] [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: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 354.9±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 310.22
ACD/KOC (pH 5.5): 522.51
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 14289.32
ACD/KOC (pH 7.4): 24068.06
Polar Surface Area: 56 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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