Found 9 results

Search term: MF = 'C_{24}H_{21}BrN_{2}O_{5}S_{2}'
ChemSpider 2D Image | Ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-thienyl)methylene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C24H21BrN2O5S2

Ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-thienyl)methylene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC24H21BrN2O5S2
  • Average mass561.468 Da
  • Monoisotopic mass560.007507 Da
  • ChemSpider ID81252351

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(1,3-Benzodioxol-5-yl)-2-[(5-bromo-2-thiényl)méthylène]-3-oxo-7-propyl-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, 5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-thienyl)methylene]-2,3-dihydro-3-oxo-7-propyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-thienyl)methylene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-brom-2-thienyl)methylen]-3-oxo-7-propyl-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: 1.6±0.1 g/cm3
Boiling Point: 640.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.2±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5606.12
ACD/KOC (pH 5.5): 16783.58
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5606.12
ACD/KOC (pH 7.4): 16783.58
Polar Surface Area: 131 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 345.3±7.0 cm3

Click to predict properties on the Chemicalize site


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