ChemSpider 2D Image | 3'-(2-Methyl-2-propanyl)-1'-phenyl-7'-[4-(trifluoromethyl)benzyl]-1',4',6',7'-tetrahydro-2H,6H-spiro[cyclohexane-1,5'-pyrazolo[3,4-b]pyridine]-2,6-dione | C29H30F3N3O2

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

  • Molecular FormulaC29H30F3N3O2
  • Average mass509.563 Da
  • Monoisotopic mass509.229004 Da
  • ChemSpider ID24726338

More details:

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

3'-(2-Methyl-2-propanyl)-1'-phenyl-7'-[4-(trifluoromethyl)benzyl]-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-1'-phenyl-7'-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7725.34
ACD/KOC (pH 5.5): 20887.67
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8019.50
ACD/KOC (pH 7.4): 21683.01
Polar Surface Area: 55 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 399.3±7.0 cm3

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