Found 23 results

Search term: MF = 'C_{26}H_{22}BrClN_{2}O_{5}S'
ChemSpider 2D Image | Isopropyl 2-(2-acetoxy-5-bromobenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C26H22BrClN2O5S

Isopropyl 2-(2-acetoxy-5-bromobenzylidene)-5-(4-chlorophenyl)-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 ID4378680

More details:

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

2-(2-Acétoxy-5-bromobenzylidène)-5-(4-chlorophényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[2-(acetyloxy)-5-bromophenyl]methylene]-5-(4-chlorophenyl)-2,3-dihydro-7-methyl-3-oxo-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-(2-acetoxy-5-bromobenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isopropyl-2-(2-acetoxy-5-brombenzyliden)-5-(4-chlorphenyl)-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: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17765.23
ACD/KOC (pH 5.5): 38320.38
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17765.23
ACD/KOC (pH 7.4): 38320.38
Polar Surface Area: 111 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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