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

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

  • Molecular FormulaC31H30F2N2O6
  • Average mass564.576 Da
  • Monoisotopic mass564.207214 Da
  • ChemSpider ID125433268

More details:

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

4-{[3-(3,5-Difluorophényl)-4-{[2-(3,4-diméthoxyphényl)éthyl]amino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]méthyl}benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(3,5-difluorophenyl)-4-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl]methyl]-, propyl ester [ACD/Index Name]
Propyl 4-{[3-(3,5-difluorophenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate [ACD/IUPAC Name]
Propyl-4-{[3-(3,5-difluorphenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]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: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.0±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: 6.34
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7474.19
ACD/KOC (pH 5.5): 20619.93
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7474.26
ACD/KOC (pH 7.4): 20620.11
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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