ChemSpider 2D Image | 4-(4-Fluoro-3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}benzyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone | C24H25FN6O2

4-(4-Fluoro-3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}benzyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone

  • Molecular FormulaC24H25FN6O2
  • Average mass448.493 Da
  • Monoisotopic mass448.202301 Da
  • ChemSpider ID24808315

More details:

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

1(2H)-Phthalazinone, 4-[[4-fluoro-3-[[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl]phenyl]methyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
4-(4-Fluor-3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}benzyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-(4-Fluoro-3-{[4-(2-pyrimidinyl)-1-pipérazinyl]carbonyl}benzyl)-5,6,7,8-tétrahydro-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-(4-Fluoro-3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}benzyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone [ACD/IUPAC Name]
Kinome_3688

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: 1.706
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.39
ACD/KOC (pH 5.5): 198.62
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.24
ACD/KOC (pH 7.4): 244.40
Polar Surface Area: 91 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement