ChemSpider 2D Image | 5-Acetyl-2-ethoxybenzyl 3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate | C31H27N3O4

5-Acetyl-2-ethoxybenzyl 3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID1824330

More details:






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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3-methyl-1,6-diphenyl-, (5-acetyl-2-ethoxyphenyl)methyl ester [ACD/Index Name]
3-Méthyl-1,6-diphényl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate de 5-acétyl-2-éthoxybenzyle [French] [ACD/IUPAC Name]
5-Acetyl-2-ethoxybenzyl 3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate [ACD/IUPAC Name]
5-Acetyl-2-ethoxybenzyl-3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17210.28
ACD/KOC (pH 5.5): 37459.64
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17210.33
ACD/KOC (pH 7.4): 37459.76
Polar Surface Area: 83 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 413.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement