ChemSpider 2D Image | Ethyl (2E,5R)-5-(2-methoxyphenyl)-7-methyl-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H30N4O5S

Ethyl (2E,5R)-5-(2-methoxyphenyl)-7-methyl-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID1406095

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,5R)-5-(2-Méthoxyphényl)-7-méthyl-2-{[5-(4-méthyl-1-pipérazinyl)-2-furyl]méthylène}-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-(2-methoxyphenyl)-7-methyl-2-[[5-(4-methyl-1-piperazinyl)-2-furanyl]methylene]-3-oxo-, ethyl ester, (2E,5R)- [ACD/Index Name]
Ethyl (2E,5R)-5-(2-methoxyphenyl)-7-methyl-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E,5R)-5-(2-methoxyphenyl)-7-methyl-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylen}-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: 1.4±0.1 g/cm3
Boiling Point: 654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 18.14
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 89.11
ACD/KOC (pH 7.4): 704.78
Polar Surface Area: 113 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

Click to predict properties on the Chemicalize site


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