ChemSpider 2D Image | 1-(4-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)ethanone | C23H24FN9O

1-(4-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)ethanone

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID124655806

More details:

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

1-(4-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorbenzyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-(1H-benzimidazol-6-ylamino)-6-[[(2-fluorophenyl)methyl]amino]-1,3,5-triazin-2-yl]-1-piperazinyl]- [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: 813.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 445.8±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 80.93
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.26
ACD/KOC (pH 7.4): 275.83
Polar Surface Area: 115 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 319.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement