ChemSpider 2D Image | 1-(2-{4-[(3-Chloro-4-fluorophenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one | C20H20ClFN4O4S

1-(2-{4-[(3-Chloro-4-fluorophenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID21732056

More details:






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

1-(2-{4-[(3-Chlor-4-fluorphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-(2-{4-[(3-Chloro-4-fluorophenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-(2-{4-[(3-Chloro-4-fluorophényl)sulfonyl]-1-pipérazinyl}-2-oxoéthyl)-3-méthyl-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1-[2-[4-[(3-chloro-4-fluorophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-1,3-dihydro-3-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 644.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.54
ACD/KOC (pH 5.5): 833.72
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.55
ACD/KOC (pH 7.4): 833.74
Polar Surface Area: 90 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

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