ChemSpider 2D Image | N-(4-Bromobenzyl)-3-methoxy-7-methyl-4-oxo-6-phenyl-2-cycloheptene-1-carboxamide | C23H24BrNO3

N-(4-Bromobenzyl)-3-methoxy-7-methyl-4-oxo-6-phenyl-2-cycloheptene-1-carboxamide

  • Molecular FormulaC23H24BrNO3
  • Average mass442.346 Da
  • Monoisotopic mass441.093964 Da
  • ChemSpider ID26396110

More details:

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

2-Cycloheptene-1-carboxamide, N-[(4-bromophenyl)methyl]-3-methoxy-7-methyl-4-oxo-6-phenyl- [ACD/Index Name]
N-(4-Brombenzyl)-3-methoxy-7-methyl-4-oxo-6-phenyl-2-cyclohepten-1-carboxamid [German] [ACD/IUPAC Name]
N-(4-Bromobenzyl)-3-methoxy-7-methyl-4-oxo-6-phenyl-2-cycloheptene-1-carboxamide [ACD/IUPAC Name]
N-(4-Bromobenzyl)-3-méthoxy-7-méthyl-4-oxo-6-phényl-2-cycloheptène-1-carboxamide [French] [ACD/IUPAC 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: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 833.59
ACD/KOC (pH 5.5): 4289.60
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 833.59
ACD/KOC (pH 7.4): 4289.60
Polar Surface Area: 55 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

Click to predict properties on the Chemicalize site


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