ChemSpider 2D Image | [4-(4-Chloro-3-nitrobenzoyl)-1-piperazinyl][5-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]methanone | C29H24ClFN4O4

[4-(4-Chloro-3-nitrobenzoyl)-1-piperazinyl][5-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]methanone

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID21561777

More details:

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

[4-(4-Chlor-3-nitrobenzoyl)-1-piperazinyl][5-(4-fluorphenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]methanon [German] [ACD/IUPAC Name]
[4-(4-Chloro-3-nitrobenzoyl)-1-piperazinyl][5-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]methanone [ACD/IUPAC Name]
[4-(4-Chloro-3-nitrobenzoyl)-1-pipérazinyl][5-(4-fluorophényl)-2-méthyl-1-phényl-1H-pyrrol-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-chloro-3-nitrobenzoyl)-1-piperazinyl][5-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]- [ACD/Index 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: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2504.29
ACD/KOC (pH 5.5): 9427.03
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2504.29
ACD/KOC (pH 7.4): 9427.03
Polar Surface Area: 91 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 399.8±7.0 cm3

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