ChemSpider 2D Image | 3-(4-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione | C24H20ClFN4O3S

3-(4-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

  • Molecular FormulaC24H20ClFN4O3S
  • Average mass498.957 Da
  • Monoisotopic mass498.092865 Da
  • ChemSpider ID26018815

More details:

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

3-(4-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione [ACD/IUPAC Name]
3-(4-Chlorophényl)-1-{2-[4-(2-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}thiéno[3,2-d]pyrimidine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-1-{2-[4-(2-fluorphenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-(4-chlorophenyl)-1-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
1260926-73-5 [RN]
3-(4-chlorophenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
3-(4-Chloro-phenyl)-1-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-thieno[3,2-d]pyrimidine-2,4-dione
3-(4-chlorophenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.86
ACD/KOC (pH 5.5): 1603.61
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.89
ACD/KOC (pH 7.4): 1603.84
Polar Surface Area: 92 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 341.2±3.0 cm3

Click to predict properties on the Chemicalize site


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