ChemSpider 2D Image | 2-Amino-4-methyl-6-[(2S)-2-{4-oxo-5-[6-oxo-6-(1-pyrrolidinyl)-1-hexyn-1-yl]-3-phenyl-3,4-dihydro-2-quinazolinyl}-1-pyrrolidinyl]-5-pyrimidinecarbonitrile | C34H34N8O2

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

  • Molecular FormulaC34H34N8O2
  • Average mass586.686 Da
  • Monoisotopic mass586.280457 Da
  • ChemSpider ID76802805

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Amino-4-methyl-6-[(2S)-2-{4-oxo-5-[6-oxo-6-(1-pyrrolidinyl)-1-hexin-1-yl]-3-phenyl-3,4-dihydro-2-chinazolinyl}-1-pyrrolidinyl]-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-Amino-4-methyl-6-[(2S)-2-{4-oxo-5-[6-oxo-6-(1-pyrrolidinyl)-1-hexyn-1-yl]-3-phenyl-3,4-dihydro-2-quinazolinyl}-1-pyrrolidinyl]-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-Amino-4-méthyl-6-[(2S)-2-{4-oxo-5-[6-oxo-6-(1-pyrrolidinyl)-1-hexyn-1-yl]-3-phényl-3,4-dihydro-2-quinazolinyl}-1-pyrrolidinyl]-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 2-amino-4-[(2S)-2-[3,4-dihydro-4-oxo-5-[6-oxo-6-(1-pyrrolidinyl)-1-hexyn-1-yl]-3-phenyl-2-quinazolinyl]-1-pyrrolidinyl]-6-methyl- [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: 902.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 499.5±37.1 °C
Index of Refraction: 1.698
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 30.75
ACD/KOC (pH 5.5): 300.34
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.43
ACD/KOC (pH 7.4): 834.51
Polar Surface Area: 132 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 441.5±7.0 cm3

Click to predict properties on the Chemicalize site


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