ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine | C23H15ClFN3OS2

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

  • Molecular FormulaC23H15ClFN3OS2
  • Average mass467.966 Da
  • Monoisotopic mass467.032898 Da
  • ChemSpider ID24714009

More details:

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

N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-(2-thienyl)thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-(2-thiényl)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-thienyl)- [ACD/Index Name]
GW684626B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506414/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 36340.98
ACD/KOC (pH 5.5): 58940.25
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48249.80
ACD/KOC (pH 7.4): 78254.77
Polar Surface Area: 104 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

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