ChemSpider 2D Image | Ethyl 6-tert-butyl-2-({4-[oxo(phenyl)acetyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C30H31NO5S

Ethyl 6-tert-butyl-2-({4-[oxo(phenyl)acetyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID3798117

More details:

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

6-(2-Méthyl-2-propanyl)-2-{[4-(2-oxo-2-phénylacétyl)benzoyl]amino}-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)-2-[[4-(1,2-dioxo-2-phenylethyl)benzoyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 6-(2-methyl-2-propanyl)-2-({4-[oxo(phenyl)acetyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl 6-tert-butyl-2-({4-[oxo(phenyl)acetyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl-6-(2-methyl-2-propanyl)-2-({4-[oxo(phenyl)acetyl]benzoyl}amino)-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: 629.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.56
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 581683.31
ACD/KOC (pH 5.5): 465514.78
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 7.4): 581651.38
ACD/KOC (pH 7.4): 465489.22
Polar Surface Area: 118 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

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