ChemSpider 2D Image | N-[cis-4-(Acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide | C28H33F3N2O3

N-[cis-4-(Acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID26379099

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[cis-4-[(acetylamino)methyl]-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]- [ACD/Index Name]
N-[cis-4-(Acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]benzamid [German] [ACD/IUPAC Name]
N-[cis-4-(Acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [ACD/IUPAC Name]
N-[cis-4-(Acétamidométhyl)-4-phénylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [French] [ACD/IUPAC 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: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.15
ACD/KOC (pH 5.5): 1686.12
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.13
ACD/KOC (pH 7.4): 1685.98
Polar Surface Area: 70 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 394.5±5.0 cm3

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