ChemSpider 2D Image | Ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C20H29NO5S

Ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC20H29NO5S
  • Average mass395.513 Da
  • Monoisotopic mass395.176636 Da
  • ChemSpider ID22771508

More details:

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

2-[(4-Méthoxy-4-oxobutanoyl)amino]-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(4-methoxy-1,4-dioxobutyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(4-methoxy-4-oxobutanoyl)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [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: 573.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.4±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5076.30
ACD/KOC (pH 5.5): 15632.33
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5076.29
ACD/KOC (pH 7.4): 15632.31
Polar Surface Area: 110 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 332.5±3.0 cm3

Click to predict properties on the Chemicalize site


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