ChemSpider 2D Image | N-[(1S)-1,2-Diphenylethyl]-1-[(2R)-2-(4-fluorophenyl)-4-oxo-1-azetidinyl]cyclohexanecarboxamide | C30H31FN2O2

N-[(1S)-1,2-Diphenylethyl]-1-[(2R)-2-(4-fluorophenyl)-4-oxo-1-azetidinyl]cyclohexanecarboxamide

  • Molecular FormulaC30H31FN2O2
  • Average mass470.578 Da
  • Monoisotopic mass470.236969 Da
  • ChemSpider ID62563065

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(1S)-1,2-diphenylethyl]-1-[(2R)-2-(4-fluorophenyl)-4-oxo-1-azetidinyl]- [ACD/Index Name]
N-[(1S)-1,2-Diphenylethyl]-1-[(2R)-2-(4-fluorophenyl)-4-oxo-1-azetidinyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(1S)-1,2-Diphényléthyl]-1-[(2R)-2-(4-fluorophényl)-4-oxo-1-azétidinyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1,2-Diphenylethyl]-1-[(2R)-2-(4-fluorphenyl)-4-oxo-1-azetidinyl]cyclohexancarboxamid [German] [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: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12078.85
ACD/KOC (pH 5.5): 29073.84
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12078.85
ACD/KOC (pH 7.4): 29073.84
Polar Surface Area: 49 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 384.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement