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

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

  • Molecular FormulaC27H40BrN3O6
  • Average mass582.527 Da
  • Monoisotopic mass581.210022 Da
  • ChemSpider ID122216271

More details:

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

2-Brom-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-1-oxo-2-hexanyl}-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-piperazinyl]-1-oxo-2-hexanyl}-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
2-Bromo-N-{1-[4-(cyclohexylcarbonyl)-1-pipérazinyl]-1-oxo-2-hexanyl}-3,4,5-triméthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-bromo-N-[1-[[4-(cyclohexylcarbonyl)-1-piperazinyl]carbonyl]pentyl]-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: 664.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.88
ACD/KOC (pH 5.5): 1636.35
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.88
ACD/KOC (pH 7.4): 1636.33
Polar Surface Area: 97 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 452.9±3.0 cm3

Click to predict properties on the Chemicalize site


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