ChemSpider 2D Image | Phenyl (4R,5R)-1-benzyl-3-ethyl-2,5-diphenyl-4-imidazolidinecarboxylate | C31H30N2O2

Phenyl (4R,5R)-1-benzyl-3-ethyl-2,5-diphenyl-4-imidazolidinecarboxylate

  • Molecular FormulaC31H30N2O2
  • Average mass462.582 Da
  • Monoisotopic mass462.230713 Da
  • ChemSpider ID32739528

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R,5R)-1-Benzyl-3-éthyl-2,5-diphényl-4-imidazolidinecarboxylate de phényle [French] [ACD/IUPAC Name]
4-Imidazolidinecarboxylic acid, 3-ethyl-2,5-diphenyl-1-(phenylmethyl)-, phenyl ester, (4R,5R)- [ACD/Index Name]
Phenyl (4R,5R)-1-benzyl-3-ethyl-2,5-diphenyl-4-imidazolidinecarboxylate [ACD/IUPAC Name]
Phenyl-(4R,5R)-1-benzyl-3-ethyl-2,5-diphenyl-4-imidazolidincarboxylat [German] [ACD/IUPAC Name]
1132091-17-8 [RN]
tch-013
TC-I 2000

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23315.35
ACD/KOC (pH 5.5): 46311.92
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23738.95
ACD/KOC (pH 7.4): 47153.34
Polar Surface Area: 33 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

Click to predict properties on the Chemicalize site


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