ChemSpider 2D Image | N-[2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl]-D-xylopyranosylamine | C20H19Br2N3O5

N-[2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl]-D-xylopyranosylamine

  • Molecular FormulaC20H19Br2N3O5
  • Average mass541.190 Da
  • Monoisotopic mass538.969116 Da
  • ChemSpider ID8004479

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

D-Xylopyranosylamine, N-[2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl]- [ACD/Index Name]
N-[2-(6,8-Dibrom-2-methyl-4-oxo-3(4H)-chinazolinyl)phenyl]-D-xylopyranosylamin [German] [ACD/IUPAC Name]
N-[2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl]-D-xylopyranosylamine [ACD/IUPAC Name]
N-[2-(6,8-Dibromo-2-méthyl-4-oxo-3(4H)-quinazolinyl)phényl]-D-xylopyranosylamine [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.71
ACD/KOC (pH 5.5): 177.07
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.71
ACD/KOC (pH 7.4): 177.10
Polar Surface Area: 115 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 280.4±7.0 cm3

Click to predict properties on the Chemicalize site


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