ChemSpider 2D Image | 1-[(2S)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | C18H15Cl3N2O

1-[(2S)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

  • Molecular FormulaC18H15Cl3N2O
  • Average mass381.684 Da
  • Monoisotopic mass380.024994 Da
  • ChemSpider ID24838024

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-[(4-Chlorbenzyl)oxy]-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol [German] [ACD/IUPAC Name]
1-[(2S)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole [ACD/IUPAC Name]
1-[(2S)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophényl)éthyl]-1H-imidazole [French] [ACD/IUPAC Name]
1H-Imidazole, 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]- [ACD/Index Name]
73094-37-8 [RN]
(S)-econazole
1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
248-341-6 [EINECS]
27220-47-9 [RN]
More...

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

E3VE9L071S [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (<stereo>S</stereo>)-enantiomer of econazole. ChEBI CHEBI:82872
      A 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of econazole. ChEBI CHEBI:82872

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 840.96
ACD/KOC (pH 5.5): 1988.67
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 10818.39
ACD/KOC (pH 7.4): 25582.91
Polar Surface Area: 27 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement