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

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

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID124656314

More details:

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

1-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorbenzyl)amino]-1,3,5-triazin-2-yl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{4-(1H-Benzimidazol-6-ylamino)-6-[(2-fluorobenzyl)amino]-1,3,5-triazin-2-yl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[4-(1H-benzimidazol-6-ylamino)-6-[[(2-fluorophenyl)methyl]amino]-1,3,5-triazin-2-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 848.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 467.2±37.1 °C
Index of Refraction: 1.739
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 113.33
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.41
ACD/KOC (pH 7.4): 233.98
Polar Surface Area: 138 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 89.0±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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