ChemSpider 2D Image | (4S)-4-(4-Bromophenyl)-4-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-4-yl)butanoic acid | C23H24BrNO4

(4S)-4-(4-Bromophenyl)-4-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-4-yl)butanoic acid

  • Molecular FormulaC23H24BrNO4
  • Average mass458.345 Da
  • Monoisotopic mass457.088867 Da
  • ChemSpider ID30659981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(4-Bromophenyl)-4-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-4-yl)butanoic acid [ACD/IUPAC Name]
(4S)-4-(4-Bromphenyl)-4-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-4-yl)butansäure [German] [ACD/IUPAC Name]
1H-Indole-4-butanoic acid, γ-(4-bromophenyl)-1-[(1,1-dimethylethoxy)carbonyl]-, (γS)- [ACD/Index Name]
Acide (4S)-4-(4-bromophényl)-4-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-indol-4-yl)butanoïque [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: 577.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 1512.02
ACD/KOC (pH 5.5): 3637.39
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 23.83
ACD/KOC (pH 7.4): 57.33
Polar Surface Area: 69 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 341.6±7.0 cm3

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