ChemSpider 2D Image | (4S,7S)-7-(3,4-Dimethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione | C32H31N3O5

(4S,7S)-7-(3,4-Dimethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID21837729
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S,7S)-7-(3,4-Dimethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]chinolin-3,5(2H,6H)-dion [German] [ACD/IUPAC Name]
(4S,7S)-7-(3,4-Diméthoxyphényl)-4-(4-éthoxyphényl)-2-phényl-4,7,8,9-tétrahydro-1H-pyrazolo[3,4-b]quinoléine-3,5(2H,6H)-dione [French] [ACD/IUPAC Name]
(4S,7S)-7-(3,4-Dimethoxyphenyl)-4-(4-ethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione [ACD/IUPAC Name]
(4S,7S)-7-(3,4-Dimethoxyphenyl)-4-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2-phenyl-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
1134692-76-4 [RN]
1H-Pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione, 7-(3,4-dimethoxyphenyl)-4-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2-phenyl-, (4S,7S)- [ACD/Index Name]
7-(3,4-Dimethoxy-phenyl)-4-(4-ethoxy-phenyl)-2-phenyl-1,2,4,7,8,9-hexahydro-6H-pyrazolo[3,4-b]quinoline-3,5-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.1±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 938.24
ACD/KOC (pH 5.5): 4613.69
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 977.56
ACD/KOC (pH 7.4): 4807.04
Polar Surface Area: 89 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 399.2±5.0 cm3

Click to predict properties on the Chemicalize site






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