ChemSpider 2D Image | 1-(4-{[1-(3,4-Difluorophenyl)-1H-tetrazol-5-yl]methyl}-1-piperazinyl)-2-phenoxy-1-propanone | C21H22F2N6O2

1-(4-{[1-(3,4-Difluorophenyl)-1H-tetrazol-5-yl]methyl}-1-piperazinyl)-2-phenoxy-1-propanone

  • Molecular FormulaC21H22F2N6O2
  • Average mass428.435 Da
  • Monoisotopic mass428.177216 Da
  • ChemSpider ID21931914

More details:

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

1-(4-{[1-(3,4-Difluorophenyl)-1H-tetrazol-5-yl]methyl}-1-piperazinyl)-2-phenoxy-1-propanone [ACD/IUPAC Name]
1-(4-{[1-(3,4-Difluorophényl)-1H-tétrazol-5-yl]méthyl}-1-pipérazinyl)-2-phénoxy-1-propanone [French] [ACD/IUPAC Name]
1-(4-{[1-(3,4-Difluorphenyl)-1H-tetrazol-5-yl]methyl}-1-piperazinyl)-2-phenoxy-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[[1-(3,4-difluorophenyl)-1H-tetrazol-5-yl]methyl]-1-piperazinyl]-2-phenoxy- [ACD/Index Name]
1-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2-phenoxypropan-1-one
1-(4-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}piperazin-1-yl)-2-phenoxypropan-1-one
1-[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenoxypropan-1-one
1040677-12-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.24
ACD/KOC (pH 5.5): 408.65
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.27
ACD/KOC (pH 7.4): 409.08
Polar Surface Area: 76 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 311.6±7.0 cm3

Click to predict properties on the Chemicalize site


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