ChemSpider 2D Image | 4'-[(2,3-Dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid | C34H32N2O3

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

  • Molecular FormulaC34H32N2O3
  • Average mass516.630 Da
  • Monoisotopic mass516.241272 Da
  • ChemSpider ID25056817

  • 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'-[[2,3-dimethyl-5-[[[(1S)-1-phenylpropyl]amino]carbonyl]-1H-indol-1-yl]methyl]- [ACD/Index Name]
4'-[(2,3-Dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(2,3-Dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(2,3-Dimethyl-5-{[(1s)-1-Phenylpropyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
Acide 4'-[(2,3-diméthyl-5-{[(1S)-1-phénylpropyl]carbamoyl}-1H-indol-1-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]

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

538 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 4278.08
ACD/KOC (pH 5.5): 4779.89
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 180.76
ACD/KOC (pH 7.4): 201.96
Polar Surface Area: 71 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 441.3±7.0 cm3

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