ChemSpider 2D Image | N-[2-(3,4-Diethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C29H34N2O6S

N-[2-(3,4-Diethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID20223902

More details:

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

4-Isoquinolinecarboxamide, N-[2-(3,4-diethoxyphenyl)ethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)- [ACD/Index Name]
N-[2-(3,4-Diethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Diéthoxyphényl)éthyl]-6,7-diméthoxy-2-méthyl-1-oxo-3-(2-thiényl)-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Diethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [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: 738.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 624.20
ACD/KOC (pH 5.5): 3487.35
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 624.20
ACD/KOC (pH 7.4): 3487.35
Polar Surface Area: 115 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

Click to predict properties on the Chemicalize site


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