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ChemSpider 2D Image | Ethyl 5-(diethylcarbamoyl)-2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate | C31H33N3O6S

Ethyl 5-(diethylcarbamoyl)-2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID4261458

More details:

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

3-Thiophenecarboxylic acid, 5-[(diethylamino)carbonyl]-2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-(Diéthylcarbamoyl)-2-({[2-(2,4-diméthoxyphényl)-4-quinoléinyl]carbonyl}amino)-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(diethylcarbamoyl)-2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-(diethylcarbamoyl)-2-({[2-(2,4-dimethoxyphenyl)-4-chinolinyl]carbonyl}amino)-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
5-Diethylcarbamoyl-2-{[2-(2,4-dimethoxy-phenyl)-quinoline-4-carbonyl]-amino}-4-methyl-thiophene-3-carboxylic acid ethyl ester
ethyl 5-(diethylcarbamoyl)-2-({[2-(2,4-dimethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
ethyl 5-(N,N-diethylcarbamoyl)-2-{[2-(2,4-dimethoxyphenyl)(4-quinolyl)]carbonylamino}-4-methylthiophene-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15785.62
ACD/KOC (pH 5.5): 35185.66
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15822.31
ACD/KOC (pH 7.4): 35267.43
Polar Surface Area: 135 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

Click to predict properties on the Chemicalize site