ChemSpider 2D Image | 7'-(1,3-Benzodioxol-5-ylmethyl)-4,4-dimethyl-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 | C31H35N3O4

7'-(1,3-Benzodioxol-5-ylmethyl)-4,4-dimethyl-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 FormulaC31H35N3O4
  • Average mass513.627 Da
  • Monoisotopic mass513.262756 Da
  • ChemSpider ID30654137

More details:

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

7'-(1,3-Benzodioxol-5-ylmethyl)-4,4-dimethyl-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, 7'-(1,3-benzodioxol-5-ylmethyl)-3'-(1,1-dimethylethyl)-1',4',6',7'-tetrahydro-4,4-dimethyl-1'-phenyl- [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: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6293.41
ACD/KOC (pH 5.5): 17995.53
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6585.34
ACD/KOC (pH 7.4): 18830.27
Polar Surface Area: 74 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 405.4±7.0 cm3

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