ChemSpider 2D Image | N-(2-Ethoxyphenyl)-3-(4-ethoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C32H37N3O5

N-(2-Ethoxyphenyl)-3-(4-ethoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC32H37N3O5
  • Average mass543.653 Da
  • Monoisotopic mass543.273315 Da
  • ChemSpider ID20227236

More details:

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

4-Isoquinolinecarboxamide, N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-2-[2-(4-morpholinyl)ethyl]-1-oxo- [ACD/Index Name]
N-(2-Ethoxyphenyl)-3-(4-ethoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-(2-Éthoxyphényl)-3-(4-éthoxyphényl)-2-[2-(4-morpholinyl)éthyl]-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(2-Ethoxyphenyl)-3-(4-ethoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo-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: 724.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 31.93
ACD/KOC (pH 5.5): 196.01
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 384.26
ACD/KOC (pH 7.4): 2359.11
Polar Surface Area: 80 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 449.8±3.0 cm3

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