ChemSpider 2D Image | 3-{[4-(Diethylamino)butyl]amino}-4-(3,5-difluorophenyl)-1-(3,4-dimethoxybenzyl)-1H-pyrrole-2,5-dione | C27H33F2N3O4

3-{[4-(Diethylamino)butyl]amino}-4-(3,5-difluorophenyl)-1-(3,4-dimethoxybenzyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID125432264

More details:

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

1H-Pyrrole-2,5-dione, 3-[[4-(diethylamino)butyl]amino]-4-(3,5-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]- [ACD/Index Name]
3-{[4-(Diethylamino)butyl]amino}-4-(3,5-difluorophenyl)-1-(3,4-dimethoxybenzyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-{[4-(Diéthylamino)butyl]amino}-4-(3,5-difluorophényl)-1-(3,4-diméthoxybenzyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-{[4-(Diethylamino)butyl]amino}-4-(3,5-difluorphenyl)-1-(3,4-dimethoxybenzyl)-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: 613.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.41
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.77
Polar Surface Area: 71 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 402.5±5.0 cm3

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