ChemSpider 2D Image | 3,5-Difluoro-N-(2-{[(1E,3S)-1-fluoro-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]carbamoyl}benzyl)benzamide | C32H27F3N2O4S

3,5-Difluoro-N-(2-{[(1E,3S)-1-fluoro-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]carbamoyl}benzyl)benzamide

  • Molecular FormulaC32H27F3N2O4S
  • Average mass592.628 Da
  • Monoisotopic mass592.164368 Da
  • ChemSpider ID129236242

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,5-Difluor-N-(2-{[(1E,3S)-1-fluor-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]carbamoyl}benzyl)benzamid [German] [ACD/IUPAC Name]
3,5-Difluoro-N-(2-{[(1E,3S)-1-fluoro-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]carbamoyl}benzyl)benzamide [ACD/IUPAC Name]
3,5-Difluoro-N-(2-{[(1E,3S)-1-fluoro-5-phényl-1-(phénylsulfonyl)-1-pentén-3-yl]carbamoyl}benzyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,5-difluoro-N-[[2-[[[(1S,2E)-3-fluoro-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl]amino]carbonyl]phenyl]methyl]- [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: 801.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3230.75
ACD/KOC (pH 5.5): 11312.38
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3230.69
ACD/KOC (pH 7.4): 11312.18
Polar Surface Area: 101 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 451.4±3.0 cm3

Click to predict properties on the Chemicalize site


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