ChemSpider 2D Image | (1S)-1-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl (4-isopropylphenyl)carbamate | C21H22ClN3O2

(1S)-1-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl (4-isopropylphenyl)carbamate

  • Molecular FormulaC21H22ClN3O2
  • Average mass383.871 Da
  • Monoisotopic mass383.140045 Da
  • ChemSpider ID30787922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl (4-isopropylphenyl)carbamate [ACD/IUPAC Name]
(1s)-1-(4-Chlorophenyl)-2-(1h-Imidazol-1-Yl)ethyl [4-(Propan-2-Yl)phenyl]carbamate
(1S)-1-(4-Chlorphenyl)-2-(1H-imidazol-1-yl)ethyl-(4-isopropylphenyl)carbamat [German] [ACD/IUPAC Name]
(4-Isopropylphényl)carbamate de (1S)-1-(4-chlorophényl)-2-(1H-imidazol-1-yl)éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4-(1-methylethyl)phenyl]-, (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl ester [ACD/Index Name]
LFT

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 120.04
ACD/KOC (pH 5.5): 536.82
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1203.57
ACD/KOC (pH 7.4): 5382.23
Polar Surface Area: 56 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


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