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

3-(2,5-Dichlorophenyl)-1-[4-(diethylamino)butyl]-4-{[4-(1-piperidinyl)phenyl]amino}-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID125693030

More details:

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

1H-Pyrrole-2,5-dione, 3-(2,5-dichlorophenyl)-1-[4-(diethylamino)butyl]-4-[[4-(1-piperidinyl)phenyl]amino]- [ACD/Index Name]
3-(2,5-Dichlorophenyl)-1-[4-(diethylamino)butyl]-4-{[4-(1-piperidinyl)phenyl]amino}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(2,5-Dichlorophényl)-1-[4-(diéthylamino)butyl]-4-{[4-(1-pipéridinyl)phényl]amino}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(2,5-Dichlorphenyl)-1-[4-(diethylamino)butyl]-4-{[4-(1-piperidinyl)phenyl]amino}-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: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 10.46
ACD/KOC (pH 7.4): 30.18
Polar Surface Area: 56 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 431.2±3.0 cm3

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