ChemSpider 2D Image | Methyl (1S,3S)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate | C26H27NO4

Methyl (1S,3S)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

  • Molecular FormulaC26H27NO4
  • Average mass417.497 Da
  • Monoisotopic mass417.194000 Da
  • ChemSpider ID30656703

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-2-Benzyl-6,7-diméthoxy-1-phényl-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-phenyl-2-(phenylmethyl)-, methyl ester, (1S,3S)- [ACD/Index Name]
Methyl (1S,3S)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
Methyl-(1S,3S)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydro-3-isochinolincarboxylat [German] [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: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1411.93
ACD/KOC (pH 5.5): 6112.52
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1529.62
ACD/KOC (pH 7.4): 6622.04
Polar Surface Area: 48 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 355.4±3.0 cm3

Click to predict properties on the Chemicalize site


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