ChemSpider 2D Image | Ethyl (2E)-5-(4-isopropylphenyl)-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C34H36N4O4S

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

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID12981612

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(4-Isopropylphényl)-2-{[5-(4-méthyl-1-pipérazinyl)-2-furyl]méthylène}-3-oxo-7-phényl-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-[4-(1-methylethyl)phenyl]-2-[[5-(4-methyl-1-piperazinyl)-2-furanyl]methylene]-3-oxo-7-phenyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-isopropylphenyl)-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-(4-isopropylphenyl)-2-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylen}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(4-isopropylphenyl)-2-((5-(4-methylpiperazin-1-yl)furan-2-yl)methylene)-3-oxo-7-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-7-phenyl-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 729.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 170.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 219.96
ACD/KOC (pH 5.5): 475.75
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 8540.29
ACD/KOC (pH 7.4): 18472.14
Polar Surface Area: 104 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 463.4±7.0 cm3

Click to predict properties on the Chemicalize site


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