ChemSpider 2D Image | {4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-benzyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate | C22H18FN7O3

{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-benzyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID22563017

More details:

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

{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 1-benzyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate [ACD/IUPAC Name]
{4-Amino-6-[(4-fluorphenyl)amino]-1,3,5-triazin-2-yl}methyl-1-benzyl-6-oxo-1,6-dihydro-3-pyridazincarboxylat [German] [ACD/IUPAC Name]
1-Benzyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate de {4-amino-6-[(4-fluorophényl)amino]-1,3,5-triazin-2-yl}méthyle [French] [ACD/IUPAC Name]
3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylmethyl)-, [4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.67
ACD/KOC (pH 5.5): 213.51
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 216.04
Polar Surface Area: 136 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 307.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement