ChemSpider 2D Image | 7'-(4-Methoxybenzyl)-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione | C29H33N3O3

7'-(4-Methoxybenzyl)-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione

  • Molecular FormulaC29H33N3O3
  • Average mass471.591 Da
  • Monoisotopic mass471.252197 Da
  • ChemSpider ID30654138

More details:

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

7'-(4-Methoxybenzyl)-3'-(2-methyl-2-propanyl)-1'-phenyl-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione [ACD/IUPAC Name]
Spiro[cyclohexane-1,5'-[5H]pyrazolo[3,4-b]pyridine]-2,6-dione, 3'-(1,1-dimethylethyl)-1',4',6',7'-tetrahydro-7'-[(4-methoxyphenyl)methyl]-1'-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2044.00
ACD/KOC (pH 5.5): 8026.51
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2156.70
ACD/KOC (pH 7.4): 8469.09
Polar Surface Area: 64 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 390.9±7.0 cm3

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