ChemSpider 2D Image | 5-(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2-methoxyphenoxy}benzyl)-9-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline | C39H44N2O7

5-(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2-methoxyphenoxy}benzyl)-9-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID64882892

More details:

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

1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-9-methoxy-5-[[4-[2-methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methyl- [ACD/Index Name]
5-(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]-2-methoxyphenoxy}benzyl)-9-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin [German] [ACD/IUPAC Name]
5-(4-{5-[(6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]-2-méthoxyphénoxy}benzyl)-9-méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléine [French] [ACD/IUPAC Name]
5-(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2-methoxyphenoxy}benzyl)-9-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline [ACD/IUPAC 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: 732.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 178.7±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 6.00
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 2654.78
ACD/KOC (pH 7.4): 5421.36
Polar Surface Area: 71 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 539.6±3.0 cm3

Click to predict properties on the Chemicalize site


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