ChemSpider 2D Image | 3-(2,4-Difluorophenyl)-4-[(3,5-dimethoxyphenyl)amino]-1-[4-(4-methyl-1-piperazinyl)phenyl]-1H-pyrrole-2,5-dione | C29H28F2N4O4

3-(2,4-Difluorophenyl)-4-[(3,5-dimethoxyphenyl)amino]-1-[4-(4-methyl-1-piperazinyl)phenyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H28F2N4O4
  • Average mass534.554 Da
  • Monoisotopic mass534.207886 Da
  • ChemSpider ID118650166

More details:

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

1H-Pyrrole-2,5-dione, 3-(2,4-difluorophenyl)-4-[(3,5-dimethoxyphenyl)amino]-1-[4-(4-methyl-1-piperazinyl)phenyl]- [ACD/Index Name]
3-(2,4-Difluorophenyl)-4-[(3,5-dimethoxyphenyl)amino]-1-[4-(4-methyl-1-piperazinyl)phenyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(2,4-Difluorophényl)-4-[(3,5-diméthoxyphényl)amino]-1-[4-(4-méthyl-1-pipérazinyl)phényl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(2,4-Difluorphenyl)-4-[(3,5-dimethoxyphenyl)amino]-1-[4-(4-methyl-1-piperazinyl)phenyl]-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: 1.4±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 23.97
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 161.52
ACD/KOC (pH 7.4): 1032.47
Polar Surface Area: 74 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

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