ChemSpider 2D Image | Benzyl 1-{[2'-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-4-biphenylyl]methyl}-4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate | C37H42N2O7

Benzyl 1-{[2'-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-4-biphenylyl]methyl}-4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID9976747

More details:

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

1-{[2'-({[(2,2-Diméthylpropanoyl)oxy]méthoxy}carbonyl)-4-biphénylyl]méthyl}-4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate de benzyle [French] [ACD/IUPAC Name]
1H-Imidazole-5-carboxylic acid, 1-[[2'-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl][1,1'-biphenyl]-4-yl]methyl]-4-(1-hydroxy-1-methylethyl)-2-propyl-, phenylmethyl ester [ACD/Index Name]
Benzyl 1-{[2'-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-4-biphenylyl]methyl}-4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
Benzyl-1-{[2'-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-4-biphenylyl]methyl}-4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazol-5-carboxylat [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: 788.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.7±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 177.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 138612.47
ACD/KOC (pH 5.5): 161654.80
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 154396.59
ACD/KOC (pH 7.4): 180062.81
Polar Surface Area: 117 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 542.5±7.0 cm3

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