ChemSpider 2D Image | Propyl 4-[({4-(3,5-difluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)methyl]benzoate | C31H30F2N2O6

Propyl 4-[({4-(3,5-difluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)methyl]benzoate

  • Molecular FormulaC31H30F2N2O6
  • Average mass564.576 Da
  • Monoisotopic mass564.207214 Da
  • ChemSpider ID125451068

More details:

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

4-[({4-(3,5-Difluorophényl)-1-[2-(3,4-diméthoxyphényl)éthyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)méthyl]benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[4-(3,5-difluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl]amino]methyl]-, propyl ester [ACD/Index Name]
Propyl 4-[({4-(3,5-difluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)methyl]benzoate [ACD/IUPAC Name]
Propyl-4-[({4-(3,5-difluorphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)methyl]benzoat [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: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7371.87
ACD/KOC (pH 5.5): 20417.53
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7371.88
ACD/KOC (pH 7.4): 20417.53
Polar Surface Area: 94 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

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