ChemSpider 2D Image | 1-{4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone | C21H18F3N3O3S2

1-{4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone

  • Molecular FormulaC21H18F3N3O3S2
  • Average mass481.511 Da
  • Monoisotopic mass481.074158 Da
  • ChemSpider ID22563565

More details:

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

1-{4-[(3,4-Difluorophenyl)sulfonyl]-1-piperazinyl}-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone [ACD/IUPAC Name]
1-{4-[(3,4-Difluorophényl)sulfonyl]-1-pipérazinyl}-2-[2-(3-fluorophényl)-1,3-thiazol-4-yl]éthanone [French] [ACD/IUPAC Name]
1-{4-[(3,4-Difluorphenyl)sulfonyl]-1-piperazinyl}-2-[2-(3-fluorphenyl)-1,3-thiazol-4-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[(3,4-difluorophenyl)sulfonyl]-1-piperazinyl]-2-[2-(3-fluorophenyl)-4-thiazolyl]- [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: 670.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.20
ACD/KOC (pH 5.5): 1812.57
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.22
ACD/KOC (pH 7.4): 1812.68
Polar Surface Area: 107 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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