ChemSpider 2D Image | Ethyl (2Z)-5-[3-methoxy-4-(pentyloxy)phenyl]-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C29H31N3O7S

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

  • Molecular FormulaC29H31N3O7S
  • Average mass565.637 Da
  • Monoisotopic mass565.188293 Da
  • ChemSpider ID4815325

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-[3-Méthoxy-4-(pentyloxy)phényl]-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, 2,3-dihydro-5-[3-methoxy-4-(pentyloxy)phenyl]-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-[3-methoxy-4-(pentyloxy)phenyl]-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-[3-methoxy-4-(pentyloxy)phenyl]-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: 1.3±0.1 g/cm3
Boiling Point: 678.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16191.54
ACD/KOC (pH 5.5): 35858.82
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16191.54
ACD/KOC (pH 7.4): 35858.82
Polar Surface Area: 149 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 430.5±7.0 cm3

Click to predict properties on the Chemicalize site


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