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

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

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID9838277

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-3-{[3-(trifluoromethyl)-2-pyridinyl]oxy}propanamide [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorophényl)-3-(3-cyanophényl)-2-butanyl]-2-méthyl-3-{[3-(trifluorométhyl)-2-pyridinyl]oxy}propanamide [French] [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorphenyl)-3-(3-cyanphenyl)-2-butanyl]-2-methyl-3-{[3-(trifluormethyl)-2-pyridinyl]oxy}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]- [ACD/Index 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: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16435.16
ACD/KOC (pH 5.5): 36243.55
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16436.14
ACD/KOC (pH 7.4): 36245.71
Polar Surface Area: 75 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 396.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement