ChemSpider 2D Image | 3-[2-(1-Azepanyl)-2-oxoethyl]-6-(4-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione | C18H20FN5O3

3-[2-(1-Azepanyl)-2-oxoethyl]-6-(4-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

  • Molecular FormulaC18H20FN5O3
  • Average mass373.382 Da
  • Monoisotopic mass373.155029 Da
  • ChemSpider ID26040839

More details:






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

3-[2-(1-Azepanyl)-2-oxoethyl]-6-(4-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione [ACD/IUPAC Name]
3-[2-(1-Azépanyl)-2-oxoéthyl]-6-(4-fluorophényl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione [French] [ACD/IUPAC Name]
3-[2-(1-Azepanyl)-2-oxoethyl]-6-(4-fluorphenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazol-2,5-dion [German] [ACD/IUPAC Name]
3H-Imidazo[1,5-b][1,2,4]triazole-2,5-dione, 6-(4-fluorophenyl)-3-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-6,7-dihydro- [ACD/Index Name]
1219551-16-2 [RN]
3-(2-Azepan-1-yl-2-oxo-ethyl)-6-(4-fluoro-phenyl)-6,7-dihydro-imidazo[1,5-b][1,2,4]triazole-2,5-dione
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
c18h20fn5o3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 532.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.6±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 50.96
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.96
Polar Surface Area: 77 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 250.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement