ChemSpider 2D Image | 2-(2-Fluoro-4-methoxybenzyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-beta-carboline | C25H27FN4O

2-(2-Fluoro-4-methoxybenzyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC25H27FN4O
  • Average mass418.507 Da
  • Monoisotopic mass418.216888 Da
  • ChemSpider ID22145151

More details:

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

1H-Pyrido[3,4-b]indole, 2-[(2-fluoro-4-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1-[1-(1-methylethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
2-(2-Fluor-4-methoxybenzyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
2-(2-Fluoro-4-methoxybenzyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-(2-Fluoro-4-méthoxybenzyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-2,3,4,9-tétrahydro-1H-β-carboline [French] [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: 560.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.6±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 35.71
ACD/KOC (pH 5.5): 173.85
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 749.05
ACD/KOC (pH 7.4): 3647.11
Polar Surface Area: 46 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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