ChemSpider 2D Image | 1-(4-Fluorobenzoyl)-2-oxo-3-azepanyl 4-oxo-3,4-dihydro-1-phthalazinecarboxylate | C22H18FN3O5

1-(4-Fluorobenzoyl)-2-oxo-3-azepanyl 4-oxo-3,4-dihydro-1-phthalazinecarboxylate

  • Molecular FormulaC22H18FN3O5
  • Average mass423.394 Da
  • Monoisotopic mass423.123047 Da
  • ChemSpider ID22371012

More details:

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

1-(4-Fluorbenzoyl)-2-oxo-3-azepanyl-4-oxo-3,4-dihydro-1-phthalazincarboxylat [German] [ACD/IUPAC Name]
1-(4-Fluorobenzoyl)-2-oxo-3-azepanyl 4-oxo-3,4-dihydro-1-phthalazinecarboxylate [ACD/IUPAC Name]
1-Phthalazinecarboxylic acid, 3,4-dihydro-4-oxo-, 1-(4-fluorobenzoyl)hexahydro-2-oxo-1H-azepin-3-yl ester [ACD/Index Name]
4-Oxo-3,4-dihydro-1-phtalazinecarboxylate de 1-(4-fluorobenzoyl)-2-oxo-3-azépanyle [French] [ACD/IUPAC Name]
1-(4-FLUOROBENZOYL)-2-OXOAZEPAN-3-YL 4-OXO-3H-PHTHALAZINE-1-CARBOXYLATE

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: 1.668
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.48
ACD/KOC (pH 5.5): 247.37
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 247.31
Polar Surface Area: 105 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 291.2±7.0 cm3

Click to predict properties on the Chemicalize site


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