ChemSpider 2D Image | 7'-(2,3-Dimethoxybenzyl)-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 | C32H39N3O4

7'-(2,3-Dimethoxybenzyl)-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 FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID30654136

More details:

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

7'-(2,3-Dimethoxybenzyl)-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'-[(2,3-dimethoxyphenyl)methyl]-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: 1.2±0.1 g/cm3
Boiling Point: 681.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 153.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7951.85
ACD/KOC (pH 5.5): 21278.64
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8316.18
ACD/KOC (pH 7.4): 22253.60
Polar Surface Area: 74 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 448.2±7.0 cm3

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