ChemSpider 2D Image | 4-Chloro-N-{[6,7-dimethoxy-2-(2-methylbenzyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}benzenesulfonamide | C26H29ClN2O4S

4-Chloro-N-{[6,7-dimethoxy-2-(2-methylbenzyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}benzenesulfonamide

  • Molecular FormulaC26H29ClN2O4S
  • Average mass501.038 Da
  • Monoisotopic mass500.153656 Da
  • ChemSpider ID21564400

More details:

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

4-Chlor-N-{[6,7-dimethoxy-2-(2-methylbenzyl)-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-Chloro-N-{[6,7-diméthoxy-2-(2-méthylbenzyl)-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-Chloro-N-{[6,7-dimethoxy-2-(2-methylbenzyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}benzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 4-chloro-N-[[1,2,3,4-tetrahydro-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-1-isoquinolinyl]methyl]- [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: 625.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 488.36
ACD/KOC (pH 5.5): 1642.44
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3427.06
ACD/KOC (pH 7.4): 11525.84
Polar Surface Area: 76 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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