ChemSpider 2D Image | 1-{[3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}-4-piperidinecarboxamide | C27H33N3O7

1-{[3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}-4-piperidinecarboxamide

  • Molecular FormulaC27H33N3O7
  • Average mass511.567 Da
  • Monoisotopic mass511.231842 Da
  • ChemSpider ID3370954

More details:

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

1-{[3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isochinolinyl]carbonyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[3-(3,4-Diméthoxyphényl)-6,7-diméthoxy-2-méthyl-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinyl]carbonyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-{[3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.22
ACD/KOC (pH 5.5): 157.22
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 157.22
Polar Surface Area: 121 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 407.2±3.0 cm3

Click to predict properties on the Chemicalize site


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