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

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

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID122016966

More details:

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

3,4-Dichlor-N-[1-(6,7-dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isochinolinyl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[1-(6,7-diméthoxy-4,4-diméthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-3-(4-fluorophényl)-1-oxo-2-propanyl]benzamide [French] [ACD/IUPAC Name]
3,4-Dichloro-N-[1-(6,7-dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]benzamide [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[2-(3,4-dihydro-6,7-dimethoxy-4,4-dimethyl-2(1H)-isoquinolinyl)-1-[(4-fluorophenyl)methyl]-2-oxoethyl]- [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: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26842.41
ACD/KOC (pH 5.5): 51491.46
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26841.50
ACD/KOC (pH 7.4): 51489.71
Polar Surface Area: 68 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 435.4±3.0 cm3

Click to predict properties on the Chemicalize site


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