ChemSpider 2D Image | Ethyl 7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)-3-pyridinyl]oxy}-1H-indole-2-carboxylate | C18H18N2O8S2

Ethyl 7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)-3-pyridinyl]oxy}-1H-indole-2-carboxylate

  • Molecular FormulaC18H18N2O8S2
  • Average mass454.474 Da
  • Monoisotopic mass454.050446 Da
  • ChemSpider ID24748914

More details:

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

1H-Indole-2-carboxylic acid, 7-[(methylsulfonyl)oxy]-5-[[6-(methylsulfonyl)-3-pyridinyl]oxy]-, ethyl ester [ACD/Index Name]
7-[(Méthylsulfonyl)oxy]-5-{[6-(méthylsulfonyl)-3-pyridinyl]oxy}-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)-3-pyridinyl]oxy}-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)-3-pyridinyl]oxy}-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 5-(6-(methylsulfonyl)pyridin-3-yloxy)-7-(methylsulfonyloxy)-1H-indole-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 720.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.73
ACD/KOC (pH 5.5): 294.25
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.73
ACD/KOC (pH 7.4): 294.25
Polar Surface Area: 158 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement