ChemSpider 2D Image | 1-[4-({4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]tetrahydro-3,6-pyridazinedione | C22H20F3N5O5

1-[4-({4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]tetrahydro-3,6-pyridazinedione

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID34278245

More details:

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

1-[4-({4-[2-Nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]tetrahydro-3,6-pyridazindion [German] [ACD/IUPAC Name]
1-[4-({4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]tetrahydro-3,6-pyridazinedione [ACD/IUPAC Name]
1-[4-({4-[2-Nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}carbonyl)phényl]tétrahydro-3,6-pyridazinedione [French] [ACD/IUPAC Name]
3,6-Pyridazinedione, tetrahydro-1-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]phenyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.02
ACD/KOC (pH 5.5): 168.02
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.01
ACD/KOC (pH 7.4): 167.84
Polar Surface Area: 119 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

Click to predict properties on the Chemicalize site


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