ChemSpider 2D Image | Ethyl 4-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate | C32H37NO8

Ethyl 4-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID3285185

More details:

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

4-{[2-(3,4-Diéthoxybenzoyl)-6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthoxy}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-(3,4-diethoxybenzoyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methoxy]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate [ACD/IUPAC Name]
Ethyl-4-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl]methoxy}benzoat [German] [ACD/IUPAC Name]
ethyl 4-((2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
ethyl 4-{[2-(3,4-diethoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2911.09
ACD/KOC (pH 5.5): 10499.46
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2911.09
ACD/KOC (pH 7.4): 10499.46
Polar Surface Area: 93 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 477.2±3.0 cm3

Click to predict properties on the Chemicalize site


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