ChemSpider 2D Image | Ethyl (2E,5S)-2-({5-[2-(methoxycarbonyl)phenyl]-2-furyl}methylene)-3-oxo-7-phenyl-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C32H24N2O6S2

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

  • Molecular FormulaC32H24N2O6S2
  • Average mass596.673 Da
  • Monoisotopic mass596.107605 Da
  • ChemSpider ID1406293

  • 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,5S)-2-({5-[2-(Méthoxycarbonyl)phényl]-2-furyl}méthylène)-3-oxo-7-phényl-5-(2-thiényl)-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-2-[[5-[2-(methoxycarbonyl)phenyl]-2-furanyl]methylene]-3-oxo-7-phenyl-5-(2-thienyl)-, ethyl ester, (2E,5S)- [ACD/Index Name]
Ethyl (2E,5S)-2-({5-[2-(methoxycarbonyl)phenyl]-2-furyl}methylene)-3-oxo-7-phenyl-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E,5S)-2-({5-[2-(methoxycarbonyl)phenyl]-2-furyl}methylen)-3-oxo-7-phenyl-5-(2-thienyl)-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

ZINC08400227 [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: 758.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 163.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18859.28
ACD/KOC (pH 5.5): 39995.16
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18859.28
ACD/KOC (pH 7.4): 39995.16
Polar Surface Area: 152 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 429.8±7.0 cm3

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