Found 115 results

Search term: MF = 'C_{25}H_{28}N_{2}O_{8}S'
ChemSpider 2D Image | Ethyl 2-[({[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}acetyl)amino]-5-(diethylcarbamoyl)-4-methyl-3-thiophenecarboxylate | C25H28N2O8S

Ethyl 2-[({[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}acetyl)amino]-5-(diethylcarbamoyl)-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC25H28N2O8S
  • Average mass516.563 Da
  • Monoisotopic mass516.156616 Da
  • ChemSpider ID4863077

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2-{[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]oxy}acétyl)amino]-5-(diéthylcarbamoyl)-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]oxy]acetyl]amino]-5-[(diethylamino)carbonyl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}acetyl)amino]-5-(diethylcarbamoyl)-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-[({[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}acetyl)amino]-5-(diethylcarbamoyl)-4-methyl-3-thiophencarboxylat [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: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 650.34
ACD/KOC (pH 5.5): 3591.27
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 650.28
ACD/KOC (pH 7.4): 3590.93
Polar Surface Area: 149 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 387.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement