ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine | C21H17ClFN3OS

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

  • Molecular FormulaC21H17ClFN3OS
  • Average mass413.896 Da
  • Monoisotopic mass413.076477 Da
  • ChemSpider ID22377307

More details:

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

N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-éthylthiéno[3,2-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4-amine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-ethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 113.6±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): 6.00
ACD/BCF (pH 5.5): 17645.27
ACD/KOC (pH 5.5): 30508.70
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38113.35
ACD/KOC (pH 7.4): 65898.03
Polar Surface Area: 75 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


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