ChemSpider 2D Image | N-[(3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide | C27H25ClF3N3O2

N-[(3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID68025715

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-[(3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide [ACD/IUPAC Name]
N-[(3S)-4-(4-Chlorophényl)-3-(3-cyanophényl)-2-butanyl]-2-méthyl-2-{[5-(trifluorométhyl)-2-pyridinyl]oxy}propanamide [French] [ACD/IUPAC Name]
N-[(3S)-4-(4-Chlorphenyl)-3-(3-cyanphenyl)-2-butanyl]-2-methyl-2-{[5-(trifluormethyl)-2-pyridinyl]oxy}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]- [ACD/Index Name]
Taranabant ((1R,2R)stereoisomer)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40230.65
ACD/KOC (pH 5.5): 68789.78
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40231.00
ACD/KOC (pH 7.4): 68790.39
Polar Surface Area: 75 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

Click to predict properties on the Chemicalize site


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