ChemSpider 2D Image | 1-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]-2-{[1-(3-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone | C22H21FN6O4S

1-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]-2-{[1-(3-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone

  • Molecular FormulaC22H21FN6O4S
  • Average mass484.503 Da
  • Monoisotopic mass484.132904 Da
  • ChemSpider ID30583996

More details:

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

1-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]-2-{[1-(3-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-pipérazinyl]-2-{[1-(3-fluorophényl)-1H-tétrazol-5-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
1-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]-2-{[1-(3-fluorphenyl)-1H-tetrazol-5-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]-2-[[1-(3-fluorophenyl)-1H-tetrazol-5-yl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.08
ACD/KOC (pH 5.5): 207.14
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.08
ACD/KOC (pH 7.4): 207.14
Polar Surface Area: 128 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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