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

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

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID4830362
  • Double-bond stereo - Double-bond stereo


More details:






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

2-{[(2E)-2-Cyano-3-{3-éthoxy-4-[2-(4-morpholinyl)éthoxy]phényl}-2-propenoyl]amino}-5-propyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[(2E)-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-{[(2E)-2-cyano-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-2-propenoyl]amino}-5-propyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-{[(2E)-2-cyan-3-{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-2-propenoyl]amino}-5-propyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-{2-Cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-ethoxy)-phenyl]-acryloylamino}-5-propyl-thiophene-3-carboxylic acid methyl ester
METHYL 2-[(2E)-2-CYANO-3-{3-ETHOXY-4-[2-(MORPHOLIN-4-YL)ETHOXY]PHENYL}PROP-2-ENAMIDO]-5-PROPYLTHIOPHENE-3-CARBOXYLATE
methyl 2-{(2E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoylamino}-5-propylthiophene-3-carboxylate
methyl 2-{[(2E)-2-cyano-3-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
MFCD03942782

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

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): 1159.08
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2245.67
ACD/KOC (pH 7.4): 8508.35
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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