ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-1,3,5-triazine-2,4-diamine | C28H33F2N7

N-[2-(1-Cyclohexen-1-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC28H33F2N7
  • Average mass505.605 Da
  • Monoisotopic mass505.276550 Da
  • ChemSpider ID124579933

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[2-(1-cyclohexen-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-N'-(3-fluor-4-methylphenyl)-6-[4-(4-fluorphenyl)-1-piperazinyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-N'-(3-fluoro-4-méthylphényl)-6-[4-(4-fluorophényl)-1-pipérazinyl]-1,3,5-triazine-2,4-diamine [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: 681.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1063.74
ACD/KOC (pH 5.5): 2979.60
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6623.82
ACD/KOC (pH 7.4): 18553.77
Polar Surface Area: 69 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 397.1±3.0 cm3

Click to predict properties on the Chemicalize site


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