ChemSpider 2D Image | 1-Benzyl-5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline | C33H29N3O4

1-Benzyl-5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

  • Molecular FormulaC33H29N3O4
  • Average mass531.601 Da
  • Monoisotopic mass531.215820 Da
  • ChemSpider ID1668479

More details:

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

1-Benzyl-5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isochinolin [German] [ACD/IUPAC Name]
1-Benzyl-5-(3,4-diméthoxyphényl)-7,8-diméthoxy-3-phényl-3H-pyrazolo[3,4-c]isoquinoléine [French] [ACD/IUPAC Name]
1-Benzyl-5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline [ACD/IUPAC Name]
3H-Pyrazolo[3,4-c]isoquinoline, 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3-phenyl-1-(phenylmethyl)- [ACD/Index Name]
1-BENZYL-5-(3,4-DIMETHOXYPHENYL)-7,8-DIMETHOXY-3-PHENYLPYRAZOLO[3,4-C]ISOQUINOLINE

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

ZINC02878824 [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: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5528.01
ACD/KOC (pH 5.5): 16576.58
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5573.67
ACD/KOC (pH 7.4): 16713.50
Polar Surface Area: 68 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 434.6±7.0 cm3

Click to predict properties on the Chemicalize site


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