ChemSpider 2D Image | 1-{[(2S,4S)-4-[(4-Biphenylyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazole | C26H22Cl2N2O3

1-{[(2S,4S)-4-[(4-Biphenylyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazole

  • Molecular FormulaC26H22Cl2N2O3
  • Average mass481.371 Da
  • Monoisotopic mass480.100739 Da
  • ChemSpider ID30792076

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(2S,4S)-4-[(4-Biphenylyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazole [ACD/IUPAC Name]
1-{[(2S,4S)-4-[(4-Biphénylyloxy)méthyl]-2-(2,4-dichlorophényl)-1,3-dioxolan-2-yl]méthyl}-1H-imidazole [French] [ACD/IUPAC Name]
1-{[(2S,4S)-4-[(4-Biphenylyloxy)methyl]-2-(2,4-dichlorphenyl)-1,3-dioxolan-2-yl]methyl}-1H-imidazol [German] [ACD/IUPAC Name]
1H-Imidazole, 1-[[(2S,4S)-4-[([1,1'-biphenyl]-4-yloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]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: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 356.3±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1586.30
ACD/KOC (pH 5.5): 2774.29
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 28504.64
ACD/KOC (pH 7.4): 49852.03
Polar Surface Area: 46 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 367.1±7.0 cm3

Click to predict properties on the Chemicalize site


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