ChemSpider 2D Image | 2-({6-[(4-Fluorobenzyl)(methyl)amino]-3-pyridazinyl}oxy)-1-[4-(2-quinazolinyl)-1-piperazinyl]ethanone | C26H26FN7O2

2-({6-[(4-Fluorobenzyl)(methyl)amino]-3-pyridazinyl}oxy)-1-[4-(2-quinazolinyl)-1-piperazinyl]ethanone

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID22159853

More details:

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

1-[4-(2-Chinazolinyl)-1-piperazinyl]-2-({6-[(4-fluorbenzyl)(methyl)amino]-3-pyridazinyl}oxy)ethanon [German] [ACD/IUPAC Name]
2-({6-[(4-Fluorobenzyl)(methyl)amino]-3-pyridazinyl}oxy)-1-[4-(2-quinazolinyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-({6-[(4-Fluorobenzyl)(méthyl)amino]-3-pyridazinyl}oxy)-1-[4-(2-quinazolinyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[6-[[(4-fluorophenyl)methyl]methylamino]-3-pyridazinyl]oxy]-1-[4-(2-quinazolinyl)-1-piperazinyl]- [ACD/Index Name]
N-(4-fluorobenzyl)-N-methyl-6-{2-oxo-2-[4-(2-quinazolinyl)-1-piperazinyl]ethoxy}-3-pyridazinamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 791.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.6±35.7 °C
Index of Refraction: 1.665
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 22.95
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 86.74
ACD/KOC (pH 7.4): 806.64
Polar Surface Area: 88 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

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