ChemSpider 2D Image | 6-[3-(4-Benzyl-1-piperazinyl)-3-oxopropyl]-3-{4-[(2-fluorobenzyl)oxy]phenyl}-1,2,4-triazin-5(2H)-one | C30H30FN5O3

6-[3-(4-Benzyl-1-piperazinyl)-3-oxopropyl]-3-{4-[(2-fluorobenzyl)oxy]phenyl}-1,2,4-triazin-5(2H)-one

  • Molecular FormulaC30H30FN5O3
  • Average mass527.589 Da
  • Monoisotopic mass527.233276 Da
  • ChemSpider ID22726518

More details:

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

1,2,4-Triazin-5(2H)-one, 3-[4-[(2-fluorophenyl)methoxy]phenyl]-6-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]- [ACD/Index Name]
6-[3-(4-Benzyl-1-piperazinyl)-3-oxopropyl]-3-{4-[(2-fluorbenzyl)oxy]phenyl}-1,2,4-triazin-5(2H)-on [German] [ACD/IUPAC Name]
6-[3-(4-Benzyl-1-piperazinyl)-3-oxopropyl]-3-{4-[(2-fluorobenzyl)oxy]phenyl}-1,2,4-triazin-5(2H)-one [ACD/IUPAC Name]
6-[3-(4-Benzyl-1-pipérazinyl)-3-oxopropyl]-3-{4-[(2-fluorobenzyl)oxy]phényl}-1,2,4-triazin-5(2H)-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 685.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 48.01
ACD/KOC (pH 5.5): 403.69
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 117.07
ACD/KOC (pH 7.4): 984.31
Polar Surface Area: 87 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 411.9±7.0 cm3

Click to predict properties on the Chemicalize site


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