ChemSpider 2D Image | 4-(4-Bromophenyl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide | C21H16BrN3O2S

4-(4-Bromophenyl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide

  • Molecular FormulaC21H16BrN3O2S
  • Average mass454.340 Da
  • Monoisotopic mass453.014648 Da
  • ChemSpider ID30657241

More details:

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

1H-Pyrazolo[3,4-b]thieno[2,3-e]pyridine, 4-(4-bromophenyl)-6,7-dihydro-3-methyl-1-phenyl-, 5,5-dioxide [ACD/Index Name]
4-(4-Bromophenyl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide [ACD/IUPAC Name]
4-(4-Bromphenyl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]thieno[2,3-e]pyridin-5,5-dioxid [German] [ACD/IUPAC Name]
5,5-Dioxyde de 4-(4-bromophényl)-3-méthyl-1-phényl-6,7-dihydro-1H-pyrazolo[3,4-b]thiéno[2,3-e]pyridine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 641.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.747
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 577.60
ACD/KOC (pH 5.5): 3298.95
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 577.60
ACD/KOC (pH 7.4): 3298.96
Polar Surface Area: 73 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement