ChemSpider 2D Image | (6Z)-5-Imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C22H17F3N4O3S

(6Z)-5-Imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC22H17F3N4O3S
  • Average mass474.456 Da
  • Monoisotopic mass474.097351 Da
  • ChemSpider ID21811209

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-5-Imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzyliden}-2-(trifluormethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-5-Imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-5-Imino-6-{3-[2-(3-méthylphénoxy)éthoxy]benzylidène}-2-(trifluorométhyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-2-(trifluoromethyl)-, (6Z)- [ACD/Index Name]
5-Imino-6-[3-(2-m-tolyloxy-ethoxy)-benzylidene]-2-trifluoromethyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
5-imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC 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: 550.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.7±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2064.99
ACD/KOC (pH 5.5): 8211.34
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2064.99
ACD/KOC (pH 7.4): 8211.34
Polar Surface Area: 113 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 327.3±7.0 cm3

Click to predict properties on the Chemicalize site


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