ChemSpider 2D Image | Ethyl (2Z)-2-[4-(mesitylmethoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C37H40N2O8S

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

  • Molecular FormulaC37H40N2O8S
  • Average mass672.787 Da
  • Monoisotopic mass672.250549 Da
  • ChemSpider ID79526636

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[4-(Mésitylméthoxy)-3-méthoxybenzylidène]-7-méthyl-3-oxo-5-(3,4,5-triméthoxyphényl)-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-2-[[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylene]-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-[4-(mesitylmethoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-[4-(mesitylmethoxy)-3-methoxybenzyliden]-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 764.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.2±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 183.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6941.16
ACD/KOC (pH 5.5): 19556.35
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6941.16
ACD/KOC (pH 7.4): 19556.35
Polar Surface Area: 130 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 539.9±7.0 cm3

Click to predict properties on the Chemicalize site


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