ChemSpider 2D Image | Ethyl (2Z,5S)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

Ethyl (2Z,5S)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID1291364

  • 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)-5-(4-Acétoxyphényl)-2-[4-(diméthylamino)benzylidène]-7-méthyl-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, 5-[4-(acetyloxy)phenyl]-2-[[4-(dimethylamino)phenyl]methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2Z,5S)- [ACD/Index Name]
Ethyl (2Z,5S)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z,5S)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzyliden]-7-methyl-3-oxo-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

ZINC00655368 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 645.09
ACD/KOC (pH 5.5): 3562.76
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.96
ACD/KOC (pH 7.4): 3589.67
Polar Surface Area: 114 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 393.9±7.0 cm3

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