ChemSpider 2D Image | 2-[(1S)-1-({6-Amino-5-[(5-methoxy-2-pyridinyl)ethynyl]-4-pyrimidinyl}amino)ethyl]-8-fluoro-3-phenyl-4(3H)-quinazolinone | C28H22FN7O2

2-[(1S)-1-({6-Amino-5-[(5-methoxy-2-pyridinyl)ethynyl]-4-pyrimidinyl}amino)ethyl]-8-fluoro-3-phenyl-4(3H)-quinazolinone

  • Molecular FormulaC28H22FN7O2
  • Average mass507.518 Da
  • Monoisotopic mass507.181915 Da
  • ChemSpider ID76767962

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1S)-1-({6-Amino-5-[(5-methoxy-2-pyridinyl)ethinyl]-4-pyrimidinyl}amino)ethyl]-8-fluor-3-phenyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(1S)-1-({6-Amino-5-[(5-methoxy-2-pyridinyl)ethynyl]-4-pyrimidinyl}amino)ethyl]-8-fluoro-3-phenyl-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(1S)-1-({6-Amino-5-[(5-méthoxy-2-pyridinyl)éthynyl]-4-pyrimidinyl}amino)éthyl]-8-fluoro-3-phényl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(1S)-1-[[6-amino-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-4-pyrimidinyl]amino]ethyl]-8-fluoro-3-phenyl- [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: 780.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.46
ACD/KOC (pH 5.5): 1244.54
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.23
ACD/KOC (pH 7.4): 1275.93
Polar Surface Area: 119 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 376.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement