ChemSpider 2D Image | 3-{[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-one | C26H21FN2O3

3-{[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-one

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID22147700

More details:

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

3-{[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-one [ACD/IUPAC Name]
3-{[1-(2-Fluorophényl)-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-one [French] [ACD/IUPAC Name]
3-{[1-(2-Fluorphenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-on [German] [ACD/IUPAC Name]
4(5H)-Benzofuranone, 3-[[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]carbonyl]-6,7-dihydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 647.02
ACD/KOC (pH 5.5): 3578.14
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 647.02
ACD/KOC (pH 7.4): 3578.14
Polar Surface Area: 66 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 311.3±3.0 cm3

Click to predict properties on the Chemicalize site


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