ChemSpider 2D Image | 4-{4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl acetate | C17H19N5O3

4-{4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl acetate

  • Molecular FormulaC17H19N5O3
  • Average mass341.365 Da
  • Monoisotopic mass341.148804 Da
  • ChemSpider ID30657252

More details:

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

4(3H)-Quinazolinone, 3-[[1-[4-(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]
4-{4-[(4-Oxo-3(4H)-chinazolinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl-acetat [German] [ACD/IUPAC Name]
4-{4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl acetate [ACD/IUPAC Name]
Acétate de 4-{4-[(4-oxo-3(4H)-quinazolinyl)méthyl]-1H-1,2,3-triazol-1-yl}butyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 121.06
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.71
ACD/KOC (pH 7.4): 121.06
Polar Surface Area: 90 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

Click to predict properties on the Chemicalize site


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