ChemSpider 2D Image | 4-{(1S)-1-[({5-Chloro-1-[4-(trifluoromethyl)benzyl]-2,3-dihydro-1H-indol-7-yl}carbonyl)amino]ethyl}benzoic acid | C26H22ClF3N2O3

4-{(1S)-1-[({5-Chloro-1-[4-(trifluoromethyl)benzyl]-2,3-dihydro-1H-indol-7-yl}carbonyl)amino]ethyl}benzoic acid

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID26377456

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{(1S)-1-[({5-Chlor-1-[4-(trifluormethyl)benzyl]-2,3-dihydro-1H-indol-7-yl}carbonyl)amino]ethyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(1S)-1-[({5-Chloro-1-[4-(trifluoromethyl)benzyl]-2,3-dihydro-1H-indol-7-yl}carbonyl)amino]ethyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(1S)-1-[({5-chloro-1-[4-(trifluorométhyl)benzyl]-2,3-dihydro-1H-indol-7-yl}carbonyl)amino]éthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1S)-1-[[[5-chloro-2,3-dihydro-1-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-7-yl]carbonyl]amino]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 922.74
ACD/KOC (pH 5.5): 1925.70
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 26.15
ACD/KOC (pH 7.4): 54.57
Polar Surface Area: 70 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 364.2±3.0 cm3

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