ChemSpider 2D Image | Ethyl 2-[(benzoyloxy)methyl]-5-methoxy-1-(phenylsulfonyl)-1H-indole-3-carboxylate | C26H23NO7S

Ethyl 2-[(benzoyloxy)methyl]-5-methoxy-1-(phenylsulfonyl)-1H-indole-3-carboxylate

  • Molecular FormulaC26H23NO7S
  • Average mass493.528 Da
  • Monoisotopic mass493.119507 Da
  • ChemSpider ID21126084

More details:

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

1H-Indole-3-carboxylic acid, 2-[(benzoyloxy)methyl]-5-methoxy-1-(phenylsulfonyl)-, ethyl ester [ACD/Index Name]
2-[(Benzoyloxy)méthyl]-5-méthoxy-1-(phénylsulfonyl)-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(benzoyloxy)methyl]-5-methoxy-1-(phenylsulfonyl)-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(benzoyloxy)methyl]-5-methoxy-1-(phenylsulfonyl)-1H-indol-3-carboxylat [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: 687.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.8±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5081.21
ACD/KOC (pH 5.5): 15643.14
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5081.21
ACD/KOC (pH 7.4): 15643.14
Polar Surface Area: 109 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 380.0±7.0 cm3

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