ChemSpider 2D Image | 4'-({5-[(4-Chlorobenzyl)carbamoyl]-2,3-dimethyl-1H-indol-1-yl}methyl)-2-biphenylcarboxylic acid | C32H27ClN2O3

4'-({5-[(4-Chlorobenzyl)carbamoyl]-2,3-dimethyl-1H-indol-1-yl}methyl)-2-biphenylcarboxylic acid

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID58950455

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[5-[[[(4-chlorophenyl)methyl]amino]carbonyl]-2,3-dimethyl-1H-indol-1-yl]methyl]- [ACD/Index Name]
4'-({5-[(4-Chlorbenzyl)carbamoyl]-2,3-dimethyl-1H-indol-1-yl}methyl)-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-({5-[(4-Chlorobenzyl)carbamoyl]-2,3-dimethyl-1H-indol-1-yl}methyl)-2-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-({5-[(4-chlorobenzyl)carbamoyl]-2,3-diméthyl-1H-indol-1-yl}méthyl)-2-biphénylcarboxylique [French] [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: 791.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 5164.71
ACD/KOC (pH 5.5): 5468.88
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 218.31
ACD/KOC (pH 7.4): 231.16
Polar Surface Area: 71 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 419.3±7.0 cm3

Click to predict properties on the Chemicalize site


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