ChemSpider 2D Image | 3-(2-Chlorobenzyl)-5-(3-fluoro-4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one | C20H14ClFN2OS

3-(2-Chlorobenzyl)-5-(3-fluoro-4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H14ClFN2OS
  • Average mass384.854 Da
  • Monoisotopic mass384.049927 Da
  • ChemSpider ID21611692

More details:

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

3-(2-Chlorbenzyl)-5-(3-fluor-4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(3-fluoro-4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(3-fluoro-4-méthylphényl)thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-methylphenyl)- [ACD/Index Name]
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.1±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3116.06
ACD/KOC (pH 5.5): 11023.47
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3116.06
ACD/KOC (pH 7.4): 11023.47
Polar Surface Area: 61 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 279.0±7.0 cm3

Click to predict properties on the Chemicalize site


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