ChemSpider 2D Image | (5E)-6-{3-Chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C23H20Cl2N4O4S

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

  • Molecular FormulaC23H20Cl2N4O4S
  • Average mass519.400 Da
  • Monoisotopic mass518.058228 Da
  • ChemSpider ID3149740

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-6-{3-Chlor-4-[2-(2-chlorphenoxy)ethoxy]-5-ethoxybenzyliden}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(5E)-6-{3-Chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(5E)-6-{3-Chloro-4-[2-(2-chlorophénoxy)éthoxy]-5-éthoxybenzylidène}-5-imino-2-méthyl-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, 6-[[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-methyl-, (5E)- [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: 347.0±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3092.96
ACD/KOC (pH 5.5): 10964.91
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3092.96
ACD/KOC (pH 7.4): 10964.91
Polar Surface Area: 122 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site


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