ChemSpider 2D Image | 5-[6-(4-Morpholinyl)-6-oxo-1-hexyn-1-yl]-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone | C32H32N8O3

5-[6-(4-Morpholinyl)-6-oxo-1-hexyn-1-yl]-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone

  • Molecular FormulaC32H32N8O3
  • Average mass576.648 Da
  • Monoisotopic mass576.259766 Da
  • ChemSpider ID76784056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]- [ACD/Index Name]
5-[6-(4-Morpholinyl)-6-oxo-1-hexin-1-yl]-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
5-[6-(4-Morpholinyl)-6-oxo-1-hexyn-1-yl]-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
5-[6-(4-Morpholinyl)-6-oxo-1-hexyn-1-yl]-3-phényl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone [French] [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: 917.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 508.6±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 163.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 184.67
ACD/KOC (pH 5.5): 1454.99
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.15
ACD/KOC (pH 7.4): 1458.75
Polar Surface Area: 129 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 425.6±7.0 cm3

Click to predict properties on the Chemicalize site


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