ChemSpider 2D Image | 2-[(3,4-Dimethoxybenzyl)amino]-5-{[(2-fluorophenyl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one | C21H21FN6O3

2-[(3,4-Dimethoxybenzyl)amino]-5-{[(2-fluorophenyl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one

  • Molecular FormulaC21H21FN6O3
  • Average mass424.428 Da
  • Monoisotopic mass424.165924 Da
  • ChemSpider ID29014388

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[[(3,4-dimethoxyphenyl)methyl]amino]-5-[[(2-fluorophenyl)amino]methyl]- [ACD/Index Name]
2-[(3,4-Dimethoxybenzyl)amino]-5-{[(2-fluorophenyl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one [ACD/IUPAC Name]
2-[(3,4-Diméthoxybenzyl)amino]-5-{[(2-fluorophényl)amino]méthyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one [French] [ACD/IUPAC Name]
2-[(3,4-Dimethoxybenzyl)amino]-5-{[(2-fluorphenyl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-on [German] [ACD/IUPAC 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: 694.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.8±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.09
ACD/KOC (pH 5.5): 734.28
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.80
ACD/KOC (pH 7.4): 741.70
Polar Surface Area: 102 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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