ChemSpider 2D Image | Ethyl (2Z)-5-(4-bromophenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C23H18BrN3O5S

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

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID4818949

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-(4-Bromophényl)-7-méthyl-2-(3-nitrobenzylidène)-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, 5-(4-bromophenyl)-2,3-dihydro-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-(4-bromophenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-5-(4-bromphenyl)-7-methyl-2-(3-nitrobenzyliden)-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: 1.6±0.1 g/cm3
Boiling Point: 636.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.7±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3267.94
ACD/KOC (pH 5.5): 11405.44
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3267.94
ACD/KOC (pH 7.4): 11405.44
Polar Surface Area: 130 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

Click to predict properties on the Chemicalize site


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