ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-furyl)thieno[2,3-d]pyrimidin-4-amine | C23H15ClFN3O2S

N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-furyl)thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC23H15ClFN3O2S
  • Average mass451.901 Da
  • Monoisotopic mass451.055756 Da
  • ChemSpider ID24715013

More details:

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

N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-(2-furyl)thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-furyl)thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-(2-furyl)thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(2-furanyl)- [ACD/Index Name]
GSK969786A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514938/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 24566.33
ACD/KOC (pH 5.5): 44089.61
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33766.66
ACD/KOC (pH 7.4): 60601.59
Polar Surface Area: 88 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

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