ChemSpider 2D Image | Diethyl (2E,7R)-5-amino-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate | C30H32N2O7S

Diethyl (2E,7R)-5-amino-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

  • Molecular FormulaC30H32N2O7S
  • Average mass564.649 Da
  • Monoisotopic mass564.192993 Da
  • ChemSpider ID62578475

  • 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

(2E,7R)-5-Amino-2-(4-éthoxybenzylidène)-7-(4-éthoxyphényl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
7H-Thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid, 5-amino-7-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)methylene]-2,3-dihydro-3-oxo-, diethyl ester, (2E,7R)- [ACD/Index Name]
Diethyl (2E,7R)-5-amino-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate [ACD/IUPAC Name]
Diethyl-(2E,7R)-5-amino-2-(4-ethoxybenzyliden)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-6,8-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2451.23
ACD/KOC (pH 5.5): 9272.41
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2461.54
ACD/KOC (pH 7.4): 9311.40
Polar Surface Area: 143 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 422.1±5.0 cm3

Click to predict properties on the Chemicalize site


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