ChemSpider 2D Image | 5-(2-Fluorophenyl)-4-oxo-N-{3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]benzyl}-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | C25H21FN6O4S

5-(2-Fluorophenyl)-4-oxo-N-{3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]benzyl}-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID17623046

More details:

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

5-(2-Fluorophenyl)-4-oxo-N-{3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]benzyl}-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide [ACD/IUPAC Name]
5-(2-Fluorophényl)-4-oxo-N-{3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]benzyl}-3,4-dihydrothiéno[2,3-d]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
5-(2-Fluorphenyl)-4-oxo-N-{3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]benzyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-2-carboxamide, 5-(2-fluorophenyl)-3,4-dihydro-4-oxo-N-[[3-[3-(1H-1,2,4-triazol-5-yloxy)propoxy]phenyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 83.26
ACD/KOC (pH 5.5): 806.25
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 127.21
Polar Surface Area: 159 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 345.1±7.0 cm3

Click to predict properties on the Chemicalize site


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