ChemSpider 2D Image | Methyl 2-cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate | C28H33NO8

Methyl 2-cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate

  • Molecular FormulaC28H33NO8
  • Average mass511.564 Da
  • Monoisotopic mass511.220612 Da
  • ChemSpider ID9060993

More details:

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

2-Cyclohexyl-6,7-diméthoxy-1-oxo-4-(3,4,5-triméthoxyphényl)-1,2-dihydro-3-isoquinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 2-cyclohexyl-1,2-dihydro-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 2-cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
methyl 2-cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-3-carboxylate
Methyl-2-cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
2-Cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester
CHEMBL71478

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.00
ACD/KOC (pH 5.5): 2490.53
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.00
ACD/KOC (pH 7.4): 2490.53
Polar Surface Area: 93 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


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