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

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

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID127290427

More details:

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

1H-Pyrrole-2,5-dione, 3-(2,3-dichlorophenyl)-4-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-1-octyl- [ACD/Index Name]
3-(2,3-Dichlorophenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-octyl-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(2,3-Dichlorophényl)-4-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-1-octyl-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(2,3-Dichlorphenyl)-4-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-octyl-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: 1.2±0.1 g/cm3
Boiling Point: 667.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.6±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 459.48
ACD/KOC (pH 5.5): 692.88
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 21166.53
ACD/KOC (pH 7.4): 31918.62
Polar Surface Area: 56 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 435.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement