ChemSpider 2D Image | Methyl (2Z)-2-{[5-(2-chlorophenyl)-2-furyl]methylene}-5-(4-isopropylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C29H25ClN2O4S

Methyl (2Z)-2-{[5-(2-chlorophenyl)-2-furyl]methylene}-5-(4-isopropylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC29H25ClN2O4S
  • Average mass533.038 Da
  • Monoisotopic mass532.122375 Da
  • ChemSpider ID21857921

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[5-(2-Chlorophényl)-2-furyl]méthylène}-5-(4-isopropylphényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[5-(2-chlorophenyl)-2-furanyl]methylene]-2,3-dihydro-7-methyl-5-[4-(1-methylethyl)phenyl]-3-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-{[5-(2-chlorophenyl)-2-furyl]methylene}-5-(4-isopropylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-(2Z)-2-{[5-(2-chlorphenyl)-2-furyl]methylen}-5-(4-isopropylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (2Z)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (2Z)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,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: 643.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29275.45
ACD/KOC (pH 5.5): 54790.85
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29275.45
ACD/KOC (pH 7.4): 54790.85
Polar Surface Area: 97 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 399.6±7.0 cm3

Click to predict properties on the Chemicalize site


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