ChemSpider 2D Image | 3,4-Dichloro-N-{1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-oxo-2-pentanyl}benzamide | C29H29Cl2FN2O4

3,4-Dichloro-N-{1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-oxo-2-pentanyl}benzamide

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID122017340

More details:

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

3,4-Dichlor-N-{1-[1-(3-fluorphenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl]-1-oxo-2-pentanyl}benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-{1-[1-(3-fluorophényl)-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl]-1-oxo-2-pentanyl}benzamide [French] [ACD/IUPAC Name]
3,4-Dichloro-N-{1-[1-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-oxo-2-pentanyl}benzamide [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[1-[[1-(3-fluorophenyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]carbonyl]butyl]- [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: 686.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 16967.81
ACD/KOC (pH 5.5): 37081.16
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 16967.58
ACD/KOC (pH 7.4): 37080.67
Polar Surface Area: 68 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 433.5±3.0 cm3

Click to predict properties on the Chemicalize site


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