ChemSpider 2D Image | Ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H29N3O5S

Ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID4449100

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-[4-(Diméthylamino)phényl]-2-(3-éthoxy-4-hydroxybenzylidène)-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-(dimethylamino)phenyl]-2-[(3-ethoxy-4-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(4-(dimethylamino)phenyl)-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
327055-87-8 [RN]
5-(4-Dimethylamino-phenyl)-2-(3-ethoxy-4-hydroxy-benzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ethyl 5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-hydroxyphenyl)methylene]-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
VOKUJTAVKQZGLS-PXLXIMEGSA-N

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

A1433/0063664 [DBID]
AG-205/10696055 [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: 658.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 352.2±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 474.52
ACD/KOC (pH 5.5): 2745.16
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 536.93
ACD/KOC (pH 7.4): 3106.19
Polar Surface Area: 117 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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