ChemSpider 2D Image | N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide | C26H25ClFN3O5S

N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

  • Molecular FormulaC26H25ClFN3O5S
  • Average mass546.010 Da
  • Monoisotopic mass545.118774 Da
  • ChemSpider ID79687405

More details:

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

1,4-Benzodioxin-6-sulfonamide, N-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-N-(4-fluorophenyl)-2,3-dihydro- [ACD/Index Name]
N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [ACD/IUPAC Name]
N-{2-[4-(3-Chlorophényl)-1-pipérazinyl]-2-oxoéthyl}-N-(4-fluorophényl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [French] [ACD/IUPAC Name]
N-{2-[4-(3-Chlorphenyl)-1-piperazinyl]-2-oxoethyl}-N-(4-fluorphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.55
ACD/KOC (pH 5.5): 3383.95
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 598.66
ACD/KOC (pH 7.4): 3384.62
Polar Surface Area: 88 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 381.1±3.0 cm3

Click to predict properties on the Chemicalize site


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