ChemSpider 2D Image | N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | C21H15F3N4O3S

N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

  • Molecular FormulaC21H15F3N4O3S
  • Average mass460.429 Da
  • Monoisotopic mass460.081696 Da
  • ChemSpider ID34254804

More details:






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

1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, N-[[4-[[3-(trifluoromethyl)phenyl]sulfonyl]phenyl]methyl]- [ACD/Index Name]
N-(4-{[3-(Trifluormethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [ACD/IUPAC Name]
N-(4-{[3-(Trifluorométhyl)phényl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
N-(4-{[3-(Trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-Pyrazolo[3,4-B]pyridine-5-Carboxamide
1362151-42-5 [RN]
2P1
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 59.15
ACD/KOC (pH 5.5): 645.51
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 56.75
ACD/KOC (pH 7.4): 619.34
Polar Surface Area: 113 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

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