ChemSpider 2D Image | Ethyl (2Z)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

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

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID110254835

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-7-Méthyl-5-[4-(2-méthyl-2-propanyl)phényl]-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-(1,1-dimethylethyl)phenyl]-2,3-dihydro-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14888.03
ACD/KOC (pH 5.5): 33767.93
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14888.03
ACD/KOC (pH 7.4): 33767.93
Polar Surface Area: 130 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 390.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement