ChemSpider 2D Image | 6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C24H17ClN4O4S

6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC24H17ClN4O4S
  • Average mass492.934 Da
  • Monoisotopic mass492.065918 Da
  • ChemSpider ID35307008

More details:

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

6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
6-{4-[2-(2-Chlorophénoxy)éthoxy]benzylidène}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
6-{4-[2-(2-Chlorphenoxy)ethoxy]benzyliden}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylene]-2-(2-furanyl)-5,6-dihydro-5-imino- [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: 650.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1612.94
ACD/KOC (pH 5.5): 6880.37
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1612.94
ACD/KOC (pH 7.4): 6880.37
Polar Surface Area: 126 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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