ChemSpider 2D Image | 4-(1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-N,N-dimethylaniline | C33H30N4O2

4-(1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-N,N-dimethylaniline

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID1370800

More details:

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

4-(1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isochinolin-5-yl)-N,N-dimethylanilin [German] [ACD/IUPAC Name]
4-(1-Benzyl-7,8-diméthoxy-3-phényl-3H-pyrazolo[3,4-c]isoquinoléin-5-yl)-N,N-diméthylaniline [French] [ACD/IUPAC Name]
4-(1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl)-N,N-dimethylaniline [ACD/IUPAC Name]
Benzenamine, 4-[7,8-dimethoxy-3-phenyl-1-(phenylmethyl)-3H-pyrazolo[3,4-c]isoquinolin-5-yl]-N,N-dimethyl- [ACD/Index Name]
4-(1-BENZYL-7,8-DIMETHOXY-3-PHENYLPYRAZOLO[3,4-C]ISOQUINOLIN-5-YL)-N,N-DIMETHYLANILINE

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

AG-690/13705948 [DBID]
ZINC02064139 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 33852.19
ACD/KOC (pH 5.5): 58336.03
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 39066.37
ACD/KOC (pH 7.4): 67321.40
Polar Surface Area: 52 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 432.5±7.0 cm3

Click to predict properties on the Chemicalize site


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