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

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

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID124609220

More details:

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

1-(4-{4-[(4-Fluorbenzyl)amino]-6-(1H-indazol-5-ylamino)-1,3,5-triazin-2-yl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[(4-Fluorobenzyl)amino]-6-(1H-indazol-5-ylamino)-1,3,5-triazin-2-yl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{4-[(4-Fluorobenzyl)amino]-6-(1H-indazol-5-ylamino)-1,3,5-triazin-2-yl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[(4-fluorophenyl)methyl]amino]-6-(1H-indazol-5-ylamino)-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: 773.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.3±35.7 °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: 0.64
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 13.62
ACD/KOC (pH 5.5): 182.03
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.52
ACD/KOC (pH 7.4): 381.28
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

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