ChemSpider 2D Image | [1-(2-Fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-piperazinyl]methanone | C30H27FN4O5

[1-(2-Fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-piperazinyl]methanone

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID21567665

More details:

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

[1-(2-Fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(2-Fluorophényl)-5-(4-méthoxyphényl)-2-méthyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
[1-(2-Fluorphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl][4-(4-nitrobenzoyl)-1-piperazinyl]- [ACD/Index 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: 776.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1189.24
ACD/KOC (pH 5.5): 5531.93
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1189.24
ACD/KOC (pH 7.4): 5531.93
Polar Surface Area: 101 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 412.1±7.0 cm3

Click to predict properties on the Chemicalize site


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