ChemSpider 2D Image | N-(5-Bromo-2-fluorobenzyl)-N-methyl-4-oxo-3-pentyl-3,4-dihydro-1-phthalazinecarboxamide | C22H23BrFN3O2

N-(5-Bromo-2-fluorobenzyl)-N-methyl-4-oxo-3-pentyl-3,4-dihydro-1-phthalazinecarboxamide

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID33629594

More details:






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

1-Phthalazinecarboxamide, N-[(5-bromo-2-fluorophenyl)methyl]-3,4-dihydro-N-methyl-4-oxo-3-pentyl- [ACD/Index Name]
N-(5-Brom-2-fluorbenzyl)-N-methyl-4-oxo-3-pentyl-3,4-dihydro-1-phthalazincarboxamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-méthyl-4-oxo-3-pentyl-3,4-dihydro-1-phtalazinecarboxamide [French] [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-methyl-4-oxo-3-pentyl-3,4-dihydro-1-phthalazinecarboxamide [ACD/IUPAC 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: 558.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3216.90
ACD/KOC (pH 5.5): 11277.63
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3216.90
ACD/KOC (pH 7.4): 11277.63
Polar Surface Area: 53 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

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