ChemSpider 2D Image | Ethyl 5-{butyryl[(4-ethylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate | C29H29NO6S

Ethyl 5-{butyryl[(4-ethylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate

  • Molecular FormulaC29H29NO6S
  • Average mass519.609 Da
  • Monoisotopic mass519.171570 Da
  • ChemSpider ID20208399

More details:

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

3-Benzofurancarboxylic acid, 5-[[(4-ethylphenyl)sulfonyl](1-oxobutyl)amino]-2-phenyl-, ethyl ester [ACD/Index Name]
5-{Butyryl[(4-éthylphényl)sulfonyl]amino}-2-phényl-1-benzofurane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{butyryl[(4-ethylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-{butyryl[(4-ethylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-[N-(4-ETHYLBENZENESULFONYL)BUTANAMIDO]-2-PHENYL-1-BENZOFURAN-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22021.11
ACD/KOC (pH 5.5): 44687.94
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22021.11
ACD/KOC (pH 7.4): 44687.94
Polar Surface Area: 102 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

Click to predict properties on the Chemicalize site


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