ChemSpider 2D Image | 3-{[2,6-Dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoic acid | C21H15Cl2F2N3O2S

3-{[2,6-Dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoic acid

  • Molecular FormulaC21H15Cl2F2N3O2S
  • Average mass482.331 Da
  • Monoisotopic mass481.023010 Da
  • ChemSpider ID115007997

More details:

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

3-{[2,6-Dichlor-7-fluor-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorbenzoesäure [German] [ACD/IUPAC Name]
3-{[2,6-Dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoic acid [ACD/IUPAC Name]
Acide 3-{[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]thio]-2-fluoro- [ACD/Index Name]
1782070-21-6 [RN]
Cudetaxestat

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

Density: 1.5±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 134.15
ACD/KOC (pH 5.5): 228.02
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 30.41
ACD/KOC (pH 7.4): 51.69
Polar Surface Area: 85 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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