ChemSpider 2D Image | Ethyl (2Z,5S)-2-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H20Cl2N2O4S

Ethyl (2Z,5S)-2-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H20Cl2N2O4S
  • Average mass539.430 Da
  • Monoisotopic mass538.052063 Da
  • ChemSpider ID1714690

  • 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

(2Z,5S)-2-{[5-(2,3-Dichlorophényl)-2-furyl]méthylène}-7-méthyl-3-oxo-5-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-[[5-(2,3-dichlorophenyl)-2-furanyl]methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-, ethyl ester, (2Z,5S)- [ACD/Index Name]
Ethyl (2Z,5S)-2-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z,5S)-2-{[5-(2,3-dichlorphenyl)-2-furyl]methylen}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

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

ZINC02996987 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 348.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25919.42
ACD/KOC (pH 5.5): 50217.85
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25919.42
ACD/KOC (pH 7.4): 50217.85
Polar Surface Area: 97 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 378.5±7.0 cm3

Click to predict properties on the Chemicalize site


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