ChemSpider 2D Image | 5-Fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]-4(3H)-quinazolinone | C22H18FN7O

5-Fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]-4(3H)-quinazolinone

  • Molecular FormulaC22H18FN7O
  • Average mass415.423 Da
  • Monoisotopic mass415.155701 Da
  • ChemSpider ID76795086

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 5-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]- [ACD/Index Name]
5-Fluor-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
5-Fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
5-Fluoro-3-phényl-2-[(1R)-1-(7H-purin-6-ylamino)propyl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
CAL-101
Idelalisib [INN] [USAN] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.59
ACD/KOC (pH 5.5): 1001.52
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.37
ACD/KOC (pH 7.4): 1008.63
Polar Surface Area: 99 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 282.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement