ChemSpider 2D Image | 4'-[(5-{[(1S)-1-(3,5-Difluoro-4-pyridinyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid | C32H27F2N3O3

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

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID58892129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[5-[[[(1S)-1-(3,5-difluoro-4-pyridinyl)ethyl]amino]carbonyl]-2,3-dimethyl-1H-indol-1-yl]methyl]- [ACD/Index Name]
4'-[(5-{[(1S)-1-(3,5-Difluor-4-pyridinyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(5-{[(1S)-1-(3,5-Difluoro-4-pyridinyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-[(5-{[(1S)-1-(3,5-difluoro-4-pyridinyl)éthyl]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: 1.3±0.1 g/cm3
Boiling Point: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 806.36
ACD/KOC (pH 5.5): 1447.21
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 34.10
ACD/KOC (pH 7.4): 61.20
Polar Surface Area: 84 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 419.6±7.0 cm3

Click to predict properties on the Chemicalize site


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