ChemSpider 2D Image | 6-(4-Benzyl-1-piperazinyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3,4-difluorophenyl)-1,3,5-triazine-2,4-diamine | C28H33F2N7

6-(4-Benzyl-1-piperazinyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3,4-difluorophenyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC28H33F2N7
  • Average mass505.605 Da
  • Monoisotopic mass505.276550 Da
  • ChemSpider ID124680119

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-(3,4-difluorophenyl)-6-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
6-(4-Benzyl-1-piperazinyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3,4-difluorophenyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(4-Benzyl-1-pipérazinyl)-N-[2-(1-cyclohexén-1-yl)éthyl]-N'-(3,4-difluorophényl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
6-(4-Benzyl-1-piperazinyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3,4-difluorphenyl)-1,3,5-triazin-2,4-diamin [German] [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: 649.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1073.40
ACD/KOC (pH 5.5): 3234.76
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5243.94
ACD/KOC (pH 7.4): 15802.95
Polar Surface Area: 69 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 394.9±3.0 cm3

Click to predict properties on the Chemicalize site


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