ChemSpider 2D Image | 2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}-3,4,5-trimethoxybenzamide | C27H40BrN3O6

2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}-3,4,5-trimethoxybenzamide

  • Molecular FormulaC27H40BrN3O6
  • Average mass582.527 Da
  • Monoisotopic mass581.210022 Da
  • ChemSpider ID122218268

More details:

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

2-Brom-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-3-methyl-1-oxo-2-pentanyl}-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-pipérazinyl]-3-méthyl-1-oxo-2-pentanyl}-3,4,5-triméthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-bromo-N-[1-[[4-(cyclohexylcarbonyl)-1-piperazinyl]carbonyl]-2-methylbutyl]-3,4,5-trimethoxy- [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: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.0±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.41
ACD/KOC (pH 5.5): 1371.17
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.41
ACD/KOC (pH 7.4): 1371.15
Polar Surface Area: 97 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 453.3±3.0 cm3

Click to predict properties on the Chemicalize site


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