ChemSpider 2D Image | {4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylate | C26H26FN7O2

{4-Amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID34435184

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 3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
{4-Amino-6-[(4-fluorphenyl)amino]-1,3,5-triazin-2-yl}methyl-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl]-, [4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]
3-[3,5-Diméthyl-1-(4-méthylbenzyl)-1H-pyrazol-4-yl]acrylate de {4-amino-6-[(4-fluorophényl)amino]-1,3,5-triazin-2-yl}méthyle [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: 721.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.2±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 455.49
ACD/KOC (pH 5.5): 2766.21
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 465.29
ACD/KOC (pH 7.4): 2825.68
Polar Surface Area: 121 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 371.7±7.0 cm3

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