ChemSpider 2D Image | MFCD01828431 | C28H31N3O4S

MFCD01828431

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID4661084

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Diéthylamino)benzylidène]-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)phenyl]methylene]-2,3-dihydro-5-(2-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[4-(diethylamino)benzylidene]-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)benzyliden]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01828431
(E)-ethyl 2-(4-(diethylamino)benzylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-2-{[4-(diethylamino)phenyl]methylidene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(diethylamino)phenyl]methylene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 3930.20
ACD/KOC (pH 5.5): 12126.26
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5024.13
ACD/KOC (pH 7.4): 15501.47
Polar Surface Area: 97 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

Click to predict properties on the Chemicalize site


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