ChemSpider 2D Image | Ethyl (2Z)-2-(4-hydroxy-3,5-dinitrobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C21H16N4O8S2

Ethyl (2Z)-2-(4-hydroxy-3,5-dinitrobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC21H16N4O8S2
  • Average mass516.504 Da
  • Monoisotopic mass516.040955 Da
  • ChemSpider ID113560132

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(4-Hydroxy-3,5-dinitrobenzylidène)-7-méthyl-3-oxo-5-(2-thiényl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-2-[(4-hydroxy-3,5-dinitrophenyl)methylene]-7-methyl-3-oxo-5-(2-thienyl)-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-(4-hydroxy-3,5-dinitrobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-(4-hydroxy-3,5-dinitrobenzyliden)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 623.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 330.8±34.3 °C
Index of Refraction: 1.759
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 224 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 308.0±7.0 cm3

Click to predict properties on the Chemicalize site


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