ChemSpider 2D Image | [4-({4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)-1-piperazinyl](2,6-difluorophenyl)methanone | C22H23F2N7O

[4-({4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)-1-piperazinyl](2,6-difluorophenyl)methanone

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID127133271

More details:

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

[4-({4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)-1-piperazinyl](2,6-difluorophenyl)methanone [ACD/IUPAC Name]
[4-({4-Amino-6-[(4-méthylphényl)amino]-1,3,5-triazin-2-yl}méthyl)-1-pipérazinyl](2,6-difluorophényl)méthanone [French] [ACD/IUPAC Name]
[4-({4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)-1-piperazinyl](2,6-difluorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[[4-amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-1-piperazinyl](2,6-difluorophenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 10.94
ACD/KOC (pH 5.5): 186.07
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.40
ACD/KOC (pH 7.4): 210.86
Polar Surface Area: 100 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 316.6±3.0 cm3

Click to predict properties on the Chemicalize site


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