ChemSpider 2D Image | 4-[4-({4,4-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1-cyclohexen-1-yl}methyl)-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid | C34H35F3N4O3

4-[4-({4,4-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1-cyclohexen-1-yl}methyl)-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid

  • Molecular FormulaC34H35F3N4O3
  • Average mass604.662 Da
  • Monoisotopic mass604.266113 Da
  • ChemSpider ID115037116

More details:






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

4-[4-({4,4-Dimethyl-2-[4-(trifluormethyl)phenyl]-1-cyclohexen-1-yl}methyl)-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoesäure [German] [ACD/IUPAC Name]
4-[4-({4,4-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1-cyclohexen-1-yl}methyl)-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid [ACD/IUPAC Name]
Acide 4-[4-({4,4-diméthyl-2-[4-(trifluorométhyl)phényl]-1-cyclohexén-1-yl}méthyl)-1-pipérazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 162.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 1543.04
ACD/KOC (pH 5.5): 1609.08
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 343.27
ACD/KOC (pH 7.4): 357.96
Polar Surface Area: 82 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 467.0±3.0 cm3

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