ChemSpider 2D Image | 1-Benzoyl-4-oxo-N-[3-(trifluoromethyl)benzyl]-1,5-diazacycloundecane-8-carboxamide | C25H28F3N3O3

1-Benzoyl-4-oxo-N-[3-(trifluoromethyl)benzyl]-1,5-diazacycloundecane-8-carboxamide

  • Molecular FormulaC25H28F3N3O3
  • Average mass475.503 Da
  • Monoisotopic mass475.208282 Da
  • ChemSpider ID53585527

More details:

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

1,5-Diazacycloundecane-8-carboxamide, 1-benzoyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
1-Benzoyl-4-oxo-N-[3-(trifluormethyl)benzyl]-1,5-diazacycloundecan-8-carboxamid [German] [ACD/IUPAC Name]
1-Benzoyl-4-oxo-N-[3-(trifluoromethyl)benzyl]-1,5-diazacycloundecane-8-carboxamide [ACD/IUPAC Name]
1-Benzoyl-4-oxo-N-[3-(trifluorométhyl)benzyl]-1,5-diazacycloundécane-8-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.09
ACD/KOC (pH 5.5): 435.22
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.09
ACD/KOC (pH 7.4): 435.22
Polar Surface Area: 79 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 390.0±3.0 cm3

Click to predict properties on the Chemicalize site


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