ChemSpider 2D Image | [6-(4-Fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone | C20H20FN7O2

[6-(4-Fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone

  • Molecular FormulaC20H20FN7O2
  • Average mass409.417 Da
  • Monoisotopic mass409.166260 Da
  • ChemSpider ID35301488

More details:

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

[6-(4-Fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[6-(4-Fluorophényl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
[6-(4-Fluorphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
6-(4-fluorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.735
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 52.45
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 65.23
Polar Surface Area: 89 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 269.7±7.0 cm3

Click to predict properties on the Chemicalize site


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