Found 23 results

Search term: MF = 'C_{26}H_{22}BrClN_{2}O_{5}S'
ChemSpider 2D Image | Ethyl (2Z)-5-[4-(allyloxy)phenyl]-2-(5-bromo-3-chloro-2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C26H22BrClN2O5S

Ethyl (2Z)-5-[4-(allyloxy)phenyl]-2-(5-bromo-3-chloro-2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H22BrClN2O5S
  • Average mass589.885 Da
  • Monoisotopic mass588.012146 Da
  • ChemSpider ID81240606

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-[4-(Allyloxy)phényl]-2-(5-bromo-3-chloro-2-hydroxybenzylidène)-7-méthyl-3-oxo-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-[(5-bromo-3-chloro-2-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-[4-(2-propen-1-yloxy)phenyl]-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-[4-(allyloxy)phenyl]-2-(5-bromo-3-chloro-2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-5-[4-(allyloxy)phenyl]-2-(5-brom-3-chlor-2-hydroxybenzyliden)-7-methyl-3-oxo-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: 1.5±0.1 g/cm3
Boiling Point: 678.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 364.1±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 37152.56
ACD/KOC (pH 5.5): 62329.41
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 3203.52
ACD/KOC (pH 7.4): 5374.42
Polar Surface Area: 114 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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