ChemSpider 2D Image | SR 1824 | C33H29BrN2O3

SR 1824

  • Molecular FormulaC33H29BrN2O3
  • Average mass581.499 Da
  • Monoisotopic mass580.136169 Da
  • ChemSpider ID30646726
  • 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-(4-bromophenyl)ethyl]amino]carbonyl]-2,3-dimethyl-1H-indol-1-yl]methyl]- [ACD/Index Name]
1338259-06-5 [RN]
4'-[(5-{[(1S)-1-(4-Bromophenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(5-{[(1S)-1-(4-Bromphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
Acide 4'-[(5-{[(1S)-1-(4-bromophényl)éthyl]carbamoyl}-2,3-diméthyl-1H-indol-1-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
SR 1824
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 8193.45
ACD/KOC (pH 5.5): 7610.45
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 346.23
ACD/KOC (pH 7.4): 321.59
Polar Surface Area: 71 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 437.8±7.0 cm3

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