ChemSpider 2D Image | 2-{[5-Acetyl-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-oxoethyl 1,3-benzodioxole-5-carboxylate | C20H19NO8S

2-{[5-Acetyl-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-oxoethyl 1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC20H19NO8S
  • Average mass433.432 Da
  • Monoisotopic mass433.083130 Da
  • ChemSpider ID29797776

More details:

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

1,3-Benzodioxole-5-carboxylate de 2-{[5-acétyl-3-(éthoxycarbonyl)-4-méthyl-2-thiényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylic acid, 2-[[5-acetyl-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxoethyl ester [ACD/Index Name]
2-{[5-Acetyl-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-oxoethyl 1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
2-{[5-Acetyl-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-oxoethyl-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 291.70
ACD/KOC (pH 5.5): 2023.03
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 291.65
ACD/KOC (pH 7.4): 2022.74
Polar Surface Area: 145 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 307.7±3.0 cm3

Click to predict properties on the Chemicalize site


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