ChemSpider 2D Image | Ethyl (2E)-5-(5-chloro-2-methoxyphenyl)-2-[2-(4-morpholinyl)-5-nitrobenzylidene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C30H31ClN4O7S

Ethyl (2E)-5-(5-chloro-2-methoxyphenyl)-2-[2-(4-morpholinyl)-5-nitrobenzylidene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC30H31ClN4O7S
  • Average mass627.108 Da
  • Monoisotopic mass626.160217 Da
  • ChemSpider ID79562856

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(5-Chloro-2-méthoxyphényl)-2-[2-(4-morpholinyl)-5-nitrobenzylidène]-3-oxo-7-propyl-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-(5-chloro-2-methoxyphenyl)-2,3-dihydro-2-[[2-(4-morpholinyl)-5-nitrophenyl]methylene]-3-oxo-7-propyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(5-chloro-2-methoxyphenyl)-2-[2-(4-morpholinyl)-5-nitrobenzylidene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-(5-chlor-2-methoxyphenyl)-2-[2-(4-morpholinyl)-5-nitrobenzyliden]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.6±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: 412.0±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 162.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9380.87
ACD/KOC (pH 5.5): 24261.69
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9380.89
ACD/KOC (pH 7.4): 24261.74
Polar Surface Area: 152 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 438.9±7.0 cm3

Click to predict properties on the Chemicalize site


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