ChemSpider 2D Image | 4-(3-Hydroxy-7,7-dimethyl-5-oxo-2-phenyl-2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate | C31H27N3O4

4-(3-Hydroxy-7,7-dimethyl-5-oxo-2-phenyl-2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID11753192

More details:






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

4-(3-Hydroxy-7,7-dimethyl-5-oxo-2-phenyl-2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-b]chinolin-4-yl)phenyl-benzoat [German] [ACD/IUPAC Name]
4-(3-Hydroxy-7,7-dimethyl-5-oxo-2-phenyl-2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate [ACD/IUPAC Name]
5H-Pyrazolo[3,4-b]quinolin-5-one, 4-[4-(benzoyloxy)phenyl]-2,4,6,7,8,9-hexahydro-3-hydroxy-7,7-dimethyl-2-phenyl- [ACD/Index Name]
Benzoate de 4-(3-hydroxy-7,7-diméthyl-5-oxo-2-phényl-2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-b]quinoléin-4-yl)phényle [French] [ACD/IUPAC Name]
3-hydroxy-4-(4-iodophenyl)-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,6,7,8,9-pentahydropyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate
5H-Pyrazolo[3,4-b]quinolin-5-one, 2,4,6,7,8,9-hexahydro-3-hydroxy-4-(4-iodophenyl)-7,7-dimethyl-2-phenyl- [ACD/Index Name]
669754-30-7 [RN]
Benzoic acid 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)-phenyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13522.79
ACD/KOC (pH 5.5): 31300.32
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 11903.50
ACD/KOC (pH 7.4): 27552.24
Polar Surface Area: 93 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 382.0±7.0 cm3

Click to predict properties on the Chemicalize site






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