ChemSpider 2D Image | Ethyl (2E)-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C29H33N3O5S

Ethyl (2E)-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4452120

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Diéthylamino)-2-méthoxybenzylidène]-5-(2-méthoxyphényl)-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, 2-[[4-(diethylamino)-2-methoxyphenyl]methylene]-2,3-dihydro-5-(2-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-[4-(diethylamino)-2-methoxybenzyliden]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
2-(4-Diethylamino-2-methoxy-benzylidene)-5-(2-methoxy-phenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ETHYL (2E)-2-[[4-(DIETHYLAMINO)-2-METHOXYPHENYL]METHYLIDENE]-5-(2-METHOXYPHENYL)-7-METHYL-3-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
ethyl 2-{[4-(diethylamino)-2-methoxyphenyl]methylene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate

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

A1959/0082395 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7352.65
ACD/KOC (pH 5.5): 19796.33
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8132.28
ACD/KOC (pH 7.4): 21895.41
Polar Surface Area: 106 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 434.3±7.0 cm3

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