ChemSpider 2D Image | (5E)-6-(4-{2-[2-(3,4-Dimethylphenoxy)ethoxy]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H30N4O5S

(5E)-6-(4-{2-[2-(3,4-Dimethylphenoxy)ethoxy]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID3043323

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-6-(4-{2-[2-(3,4-Dimethylphenoxy)ethoxy]ethoxy}-3-methoxybenzyliden)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(5E)-6-(4-{2-[2-(3,4-Dimethylphenoxy)ethoxy]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(5E)-6-(4-{2-[2-(3,4-Diméthylphénoxy)éthoxy]éthoxy}-3-méthoxybenzylidène)-2-éthyl-5-imino-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-[[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-3-methoxyphenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-, (5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.54
ACD/KOC (pH 5.5): 3058.06
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.54
ACD/KOC (pH 7.4): 3058.06
Polar Surface Area: 131 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 403.8±7.0 cm3

Click to predict properties on the Chemicalize site


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