ChemSpider 2D Image | Methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}benzoate | C26H21FN2O3

Methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}benzoate

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID22123173

More details:

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

3-{[1-(4-Fluorophényl)-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]carbonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}benzoate [ACD/IUPAC Name]
Methyl-3-{[1-(4-fluorphenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]carbonyl}benzoat [German] [ACD/IUPAC 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: 643.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 936.80
ACD/KOC (pH 5.5): 4663.42
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 936.80
ACD/KOC (pH 7.4): 4663.42
Polar Surface Area: 62 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 323.1±3.0 cm3

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