ChemSpider 2D Image | 1,3-Benzodioxol-5-yl{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone | C22H18FN7O3

1,3-Benzodioxol-5-yl{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID28305557

More details:

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

1,3-Benzodioxol-5-yl{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl{4-[3-(3-fluorophényl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl{4-[3-(3-fluorphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, 1,3-benzodioxol-5-yl[4-[3-(3-fluorophenyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 703.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±35.7 °C
Index of Refraction: 1.770
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 170.62
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.59
ACD/KOC (pH 7.4): 175.56
Polar Surface Area: 99 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 279.7±7.0 cm3

Click to predict properties on the Chemicalize site


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