ChemSpider 2D Image | Ethyl (2E)-2-({5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C31H29ClN2O6S2

Ethyl (2E)-2-({5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC31H29ClN2O6S2
  • Average mass625.155 Da
  • Monoisotopic mass624.115540 Da
  • ChemSpider ID68673780

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-({5-[(4-Chlorophényl)sulfanyl]-2-furyl}méthylène)-5-(2,5-diméthoxyphényl)-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, 2-[[5-[(4-chlorophenyl)thio]-2-furanyl]methylene]-5-(2,5-dimethoxyphenyl)-2,3-dihydro-3-oxo-7-propyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-({5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-({5-[(4-chlorphenyl)sulfanyl]-2-furyl}methylen)-5-(2,5-dimethoxyphenyl)-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: 1.4±0.1 g/cm3
Boiling Point: 735.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 166.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.48
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 131988.14
ACD/KOC (pH 5.5): 161011.27
ACD/LogD (pH 7.4): 7.04
ACD/BCF (pH 7.4): 131988.14
ACD/KOC (pH 7.4): 161011.27
Polar Surface Area: 141 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 459.0±7.0 cm3

Click to predict properties on the Chemicalize site


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