ChemSpider 2D Image | 1,1-Dimethylethyl N-[(1S,2S)-1-[5-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]carbamate | C23H25FIN3O2

1,1-Dimethylethyl N-[(1S,2S)-1-[5-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]carbamate

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID103881764

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(1S,2S)-1-[5-(2-Fluoro-4-iodophényl)-1H-imidazol-2-yl]-2-phénylpropyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(1S,2S)-1-[5-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]carbamate
1165872-91-2 [RN]
2-Methyl-2-propanyl {(1S,2S)-1-[5-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(1S,2S)-1-[5-(2-fluor-4-iodphenyl)-1H-imidazol-2-yl]-2-phenylpropyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S)-1-[5-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 18899.60
ACD/KOC (pH 5.5): 36196.91
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26844.09
ACD/KOC (pH 7.4): 51412.38
Polar Surface Area: 67 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 358.9±3.0 cm3

Click to predict properties on the Chemicalize site


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