ChemSpider 2D Image | 1-[1-(4-Fluorophenyl)-7-{[1-oxo-1-(4-thiomorpholinyl)-2-propanyl]oxy}-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-dimethyl-1-propanone | C27H33FN2O3S

1-[1-(4-Fluorophenyl)-7-{[1-oxo-1-(4-thiomorpholinyl)-2-propanyl]oxy}-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-dimethyl-1-propanone

  • Molecular FormulaC27H33FN2O3S
  • Average mass484.626 Da
  • Monoisotopic mass484.219604 Da
  • ChemSpider ID22709192

More details:

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

1-[1-(4-Fluorophényl)-7-{[1-oxo-1-(4-thiomorpholinyl)-2-propanyl]oxy}-3,4-dihydro-2(1H)-isoquinoléinyl]-2,2-diméthyl-1-propanone [French] [ACD/IUPAC Name]
1-[1-(4-Fluorophenyl)-7-{[1-oxo-1-(4-thiomorpholinyl)-2-propanyl]oxy}-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-dimethyl-1-propanone [ACD/IUPAC Name]
1-[1-(4-Fluorphenyl)-7-{[1-oxo-1-(4-thiomorpholinyl)-2-propanyl]oxy}-3,4-dihydro-2(1H)-isochinolinyl]-2,2-dimethyl-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[1-(4-fluorophenyl)-3,4-dihydro-7-[1-methyl-2-oxo-2-(4-thiomorpholinyl)ethoxy]-2(1H)-isoquinolinyl]-2,2-dimethyl- [ACD/Index 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: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1048.03
ACD/KOC (pH 5.5): 5053.40
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1048.03
ACD/KOC (pH 7.4): 5053.40
Polar Surface Area: 75 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 400.6±3.0 cm3

Click to predict properties on the Chemicalize site


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