ChemSpider 2D Image | 2-{[5-(1,3-Benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol | C19H17FN6O3

2-{[5-(1,3-Benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol

  • Molecular FormulaC19H17FN6O3
  • Average mass396.375 Da
  • Monoisotopic mass396.134613 Da
  • ChemSpider ID35033876

More details:

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

2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
2-{[5-(1,3-Benzodioxol-5-ylmethyl)-8-fluor-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]chinazolin-10-yl]amino}ethanol [German] [ACD/IUPAC Name]
2-{[5-(1,3-Benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol [ACD/IUPAC Name]
2-{[5-(1,3-Benzodioxol-5-ylméthyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2,3-dihydro-2-imino[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 618.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.9±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.10
ACD/KOC (pH 5.5): 154.95
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 156.97
Polar Surface Area: 115 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 235.3±7.0 cm3

Click to predict properties on the Chemicalize site


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