ChemSpider 2D Image | 1-(4-Fluorophenyl)-6-oxo-N-(4-{[2-(1H-1,2,4-triazol-1-yl)propanoyl]amino}phenyl)-1,6-dihydro-3-pyridazinecarboxamide | C22H18FN7O3

1-(4-Fluorophenyl)-6-oxo-N-(4-{[2-(1H-1,2,4-triazol-1-yl)propanoyl]amino}phenyl)-1,6-dihydro-3-pyridazinecarboxamide

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID33376976

More details:

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

1-(4-Fluorophenyl)-6-oxo-N-(4-{[2-(1H-1,2,4-triazol-1-yl)propanoyl]amino}phenyl)-1,6-dihydro-3-pyridazinecarboxamide [ACD/IUPAC Name]
1-(4-Fluorophényl)-6-oxo-N-(4-{[2-(1H-1,2,4-triazol-1-yl)propanoyl]amino}phényl)-1,6-dihydro-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-6-oxo-N-(4-{[2-(1H-1,2,4-triazol-1-yl)propanoyl]amino}phenyl)-1,6-dihydro-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
3-Pyridazinecarboxamide, 1-(4-fluorophenyl)-1,6-dihydro-6-oxo-N-[4-[[1-oxo-2-(1H-1,2,4-triazol-1-yl)propyl]amino]phenyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.01
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.92
Polar Surface Area: 122 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement