ChemSpider 2D Image | N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide | C26H26FN7O2

N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID33387247

More details:






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

1-Phthalazinecarboxamide, N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl]-3,4-dihydro-3-(2-methylpropyl)-4-oxo- [ACD/Index Name]
N-{3-[5-Amino-4-cyan-1-(4-fluorphenyl)-1H-pyrazol-3-yl]propyl}-3-isobutyl-4-oxo-3,4-dihydro-1-phthalazincarboxamid [German] [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophényl)-1H-pyrazol-3-yl]propyl}-3-isobutyl-4-oxo-3,4-dihydro-1-phtalazinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-3-isobutyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.65
ACD/KOC (pH 5.5): 1331.74
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.58
ACD/KOC (pH 7.4): 1331.22
Polar Surface Area: 129 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 361.5±7.0 cm3

Click to predict properties on the Chemicalize site






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