ChemSpider 2D Image | 4-Amino-6-{[(1S)-1-{5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}propyl]amino}-5-pyrimidinecarbonitrile | C32H32N8O3

4-Amino-6-{[(1S)-1-{5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}propyl]amino}-5-pyrimidinecarbonitrile

  • Molecular FormulaC32H32N8O3
  • Average mass576.648 Da
  • Monoisotopic mass576.259766 Da
  • ChemSpider ID76802121

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Amino-6-{[(1S)-1-{5-[6-(4-morpholinyl)-6-oxo-1-hexin-1-yl]-4-oxo-3-phenyl-3,4-dihydro-2-chinazolinyl}propyl]amino}-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-{[(1S)-1-{5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}propyl]amino}-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-6-{[(1S)-1-{5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-4-oxo-3-phényl-3,4-dihydro-2-quinazolinyl}propyl]amino}-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-6-[[(1S)-1-[3,4-dihydro-5-[6-(4-morpholinyl)-6-oxo-1-hexyn-1-yl]-4-oxo-3-phenyl-2-quinazolinyl]propyl]amino]- [ACD/Index 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: 898.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 497.2±37.1 °C
Index of Refraction: 1.672
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.87
ACD/KOC (pH 5.5): 1342.46
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.84
ACD/KOC (pH 7.4): 1350.38
Polar Surface Area: 150 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 438.3±7.0 cm3

Click to predict properties on the Chemicalize site


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