ChemSpider 2D Image | 1-[(5,6-Difluoro-1H-benzimidazol-1-yl)methyl]-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C19H14F2N6O

1-[(5,6-Difluoro-1H-benzimidazol-1-yl)methyl]-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID70145354

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 1-[(5,6-difluoro-1H-benzimidazol-1-yl)methyl]-4-ethyl- [ACD/Index Name]
1-[(5,6-Difluor-1H-benzimidazol-1-yl)methyl]-4-ethyl[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
1-[(5,6-Difluoro-1H-benzimidazol-1-yl)methyl]-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-[(5,6-Difluoro-1H-benzimidazol-1-yl)méthyl]-4-éthyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 662.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.79
ACD/KOC (pH 5.5): 626.85
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.86
ACD/KOC (pH 7.4): 627.64
Polar Surface Area: 69 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 244.5±7.0 cm3

Click to predict properties on the Chemicalize site


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