ChemSpider 2D Image | 2-Cyclohexyl-N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C31H42N4O4

2-Cyclohexyl-N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID20223725

More details:

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

2-Cyclohexyl-N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-Cyclohexyl-N-(2-{[2-(diéthylamino)éthyl]amino}-2-oxoéthyl)-3-(4-méthoxyphényl)-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-Cyclohexyl-N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 2-cyclohexyl-N-[2-[[2-(diethylamino)ethyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydro-3-(4-methoxyphenyl)-1-oxo- [ACD/Index 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: 761.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.5±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 28.99
Polar Surface Area: 91 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

Click to predict properties on the Chemicalize site


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