ChemSpider 2D Image | 2-Chloro-N-ethyl-5-(4-fluorophenyl)-6-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine | C22H19ClFN3S

2-Chloro-N-ethyl-5-(4-fluorophenyl)-6-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC22H19ClFN3S
  • Average mass411.923 Da
  • Monoisotopic mass411.097229 Da
  • ChemSpider ID30869311

More details:

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

2-Chlor-N-ethyl-5-(4-fluorphenyl)-6-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-Chloro-N-ethyl-5-(4-fluorophenyl)-6-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-Chloro-N-éthyl-5-(4-fluorophényl)-6-méthyl-N-(3-méthylphényl)thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, 2-chloro-N-ethyl-5-(4-fluorophenyl)-6-methyl-N-(3-methylphenyl)- [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: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52197.82
ACD/KOC (pH 5.5): 82238.98
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53636.59
ACD/KOC (pH 7.4): 84505.80
Polar Surface Area: 57 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 314.6±3.0 cm3

Click to predict properties on the Chemicalize site


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