ChemSpider 2D Image | Ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate | C31H31N3O4

Ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID3326528

More details:

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

1H-Indole-3-carboxylic acid, 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-, ethyl ester [ACD/Index Name]
5-[3-(4,5-Diphényl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-diméthyl-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[3-(4,5-diphenyl-1H-imidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
5-[3-(4,5-Diphenyl-imidazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-1H-indole-3-carboxylic acid ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 6872.60
ACD/KOC (pH 5.5): 14314.29
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19616.89
ACD/KOC (pH 7.4): 40858.22
Polar Surface Area: 79 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 419.6±7.0 cm3

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