ChemSpider 2D Image | N-[(2S,3R)-4-[(1-{3-[(2E)-2-Buten-2-yl]phenyl}cyclohexyl)amino]-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide | C28H36F2N2O2

N-[(2S,3R)-4-[(1-{3-[(2E)-2-Buten-2-yl]phenyl}cyclohexyl)amino]-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide

  • Molecular FormulaC28H36F2N2O2
  • Average mass470.594 Da
  • Monoisotopic mass470.274475 Da
  • ChemSpider ID25030808

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[1-[3-[(1E)-1-methyl-1-propen-1-yl]phenyl]cyclohexyl]amino]propyl]- [ACD/Index Name]
N-[(2S,3R)-4-[(1-{3-[(2E)-2-Buten-2-yl]phenyl}cyclohexyl)amino]-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-4-[(1-{3-[(2E)-2-Butén-2-yl]phényl}cyclohexyl)amino]-1-(3,5-difluorophényl)-3-hydroxy-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-4-[(1-{3-[(2E)-2-Buten-2-yl]phenyl}cyclohexyl)amino]-1-(3,5-difluorphenyl)-3-hydroxy-2-butanyl]acetamid [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: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 15.11
ACD/KOC (pH 5.5): 40.31
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 627.49
ACD/KOC (pH 7.4): 1673.99
Polar Surface Area: 61 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

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