ChemSpider 2D Image | Methyl 2-[(2-cyano-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}acryloyl)amino]-5-propyl-3-thiophenecarboxylate | C27H33N3O6S

Methyl 2-[(2-cyano-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}acryloyl)amino]-5-propyl-3-thiophenecarboxylate

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID3823921

More details:

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

2-[(2-Cyano-3-{3-éthoxy-4-[2-(4-morpholinyl)éthoxy]phényl}acryloyl)amino]-5-propyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-cyano-3-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-1-oxo-2-propen-1-yl]amino]-5-propyl-, methyl ester [ACD/Index Name]
Methyl 2-[(2-cyano-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}acryloyl)amino]-5-propyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-[(2-cyan-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}acryloyl)amino]-5-propyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 305.92
ACD/KOC (pH 5.5): 1159.07
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2243.94
ACD/KOC (pH 7.4): 8501.82
Polar Surface Area: 138 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

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