ChemSpider 2D Image | 5-({4-[5-(3-Fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one | C22H21FN6O4S

5-({4-[5-(3-Fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC22H21FN6O4S
  • Average mass484.503 Da
  • Monoisotopic mass484.132904 Da
  • ChemSpider ID66425800

More details:

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

2H-Benzimidazol-2-one, 5-[[4-[5-(3-fluorophenyl)-1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl]-1-piperazinyl]sulfonyl]-1,3-dihydro- [ACD/Index Name]
5-({4-[5-(3-Fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
5-({4-[5-(3-Fluorophényl)-4-méthyl-6-oxo-1,6-dihydro-2-pyrimidinyl]-1-pipérazinyl}sulfonyl)-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
5-({4-[5-(3-Fluorphenyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.25
ACD/KOC (pH 5.5): 215.25
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.52
ACD/KOC (pH 7.4): 235.97
Polar Surface Area: 132 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 301.1±7.0 cm3

Click to predict properties on the Chemicalize site


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