ChemSpider 2D Image | 2,3-Dihydro-1,4-benzodioxin-6-yl[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone | C26H21FN2O3

2,3-Dihydro-1,4-benzodioxin-6-yl[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]methanone

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID22206734

More details:

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

2,3-Dihydro-1,4-benzodioxin-6-yl[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]methanone [ACD/IUPAC Name]
2,3-Dihydro-1,4-benzodioxin-6-yl[1-(2-fluorophényl)-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]méthanone [French] [ACD/IUPAC Name]
2,3-Dihydro-1,4-benzodioxin-6-yl[1-(2-fluorphenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]methanon [German] [ACD/IUPAC Name]
Methanone, (2,3-dihydro-1,4-benzodioxin-6-yl)[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]- [ACD/Index Name]
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1315.91
ACD/KOC (pH 5.5): 5947.59
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1315.91
ACD/KOC (pH 7.4): 5947.59
Polar Surface Area: 55 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

Click to predict properties on the Chemicalize site


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