ChemSpider 2D Image | 1-(4-Fluorophenyl)-2-{[2-(methylsulfanyl)-5-pyrimidinyl]methyl}-2,3,4,9-tetrahydro-1H-beta-carboline | C23H21FN4S

1-(4-Fluorophenyl)-2-{[2-(methylsulfanyl)-5-pyrimidinyl]methyl}-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC23H21FN4S
  • Average mass404.503 Da
  • Monoisotopic mass404.147095 Da
  • ChemSpider ID22144066

More details:

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

1-(4-Fluorophenyl)-2-{[2-(methylsulfanyl)-5-pyrimidinyl]methyl}-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1-(4-Fluorophényl)-2-{[2-(méthylsulfanyl)-5-pyrimidinyl]méthyl}-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-2-{[2-(methylsulfanyl)-5-pyrimidinyl]methyl}-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-(4-fluorophenyl)-2,3,4,9-tetrahydro-2-[[2-(methylthio)-5-pyrimidinyl]methyl]- [ACD/Index Name]
1-(4-fluorophenyl)-2-{[2-(methylthio)-5-pyrimidinyl]methyl}-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: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.7±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 575.50
ACD/KOC (pH 5.5): 2155.41
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2443.66
ACD/KOC (pH 7.4): 9152.17
Polar Surface Area: 70 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 295.9±5.0 cm3

Click to predict properties on the Chemicalize site


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