ChemSpider 2D Image | 4-({1-[(4-Ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)-N,N-dimethylbenzenesulfonamide | C29H34N2O6S

4-({1-[(4-Ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)-N,N-dimethylbenzenesulfonamide

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID2767427

More details:

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

4-({1-[(4-Ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl}carbonyl)-N,N-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-({1-[(4-Éthylphénoxy)méthyl]-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl}carbonyl)-N,N-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-({1-[(4-Ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)-N,N-dimethylbenzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[1-[(4-ethylphenoxy)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]carbonyl]-N,N-dimethyl- [ACD/Index Name]
4-(1-((4-ethylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
4-{[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-N,N-dimethylbenzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.8±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1268.86
ACD/KOC (pH 5.5): 5794.60
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1268.86
ACD/KOC (pH 7.4): 5794.60
Polar Surface Area: 94 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 440.2±3.0 cm3

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